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description Publicationkeyboard_double_arrow_right Article , Journal 2021Publisher:American Chemical Society (ACS) Kang Wu; Jianyue Jiao; Na Li; Min Wang; Guofeng Jia; Yu Lin Lee; Rongbin Dang; Xin Deng; Xiaoling Xiao; Zhijian Wu;Layered O3-phase LiNi0.8Co0.1Mn0.1O2 (NCM811) material has shown great potential for lithium-ion batteries (LIBs). However, capacity attenuation and irreversible phase transitions have been serious...
Smithsonian figshare arrow_drop_down Smithsonian figshareArticle . 2021License: CC BY NCData sources: Bielefeld Academic Search Engine (BASE)The Journal of Physical Chemistry CArticle . 2021 . Peer-reviewedLicense: STM Policy #29Data sources: Crossrefadd ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1021/acs.jpcc.1c01727&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu21 citations 21 popularity Top 10% influence Average impulse Top 10% Powered by BIP!
more_vert Smithsonian figshare arrow_drop_down Smithsonian figshareArticle . 2021License: CC BY NCData sources: Bielefeld Academic Search Engine (BASE)The Journal of Physical Chemistry CArticle . 2021 . Peer-reviewedLicense: STM Policy #29Data sources: Crossrefadd ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1021/acs.jpcc.1c01727&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article , Preprint , Journal 2020Embargo end date: 01 Jan 2019 China (People's Republic of), United Kingdom, France, China (People's Republic of), China (People's Republic of)Publisher:Elsevier BV Funded by:UKRI | EPSRC Centre for Doctoral..., UKRI | Equipment Account: Integr..., UKRI | ECCS - EPSRC Development ... +6 projectsUKRI| EPSRC Centre for Doctoral Training in Graphene Technology ,UKRI| Equipment Account: Integrated Thin Film Deposition and Analysis System ,UKRI| ECCS - EPSRC Development of uniform, low power, high density resistive memory by vertical interface and defect design ,UKRI| Control of spin and coherence in electronic excitations in organic and hybrid organic/inorganic semiconductor structures ,UKRI| DTP 2016-2017 University of Cambridge ,UKRI| Precision Manufacturing of Flexible CMOS ,ANR| InHyMat-PV ,EC| Robust OTFT sensors ,UKRI| Centre for Advanced Materials for Integrated Energy Systems (CAM-IES)Philip Schulz; Judith L. MacManus-Driscoll; Wen Li; Wen Li; Mark Nikolka; Henry J. Snaith; Solène Béchu; Weiwei Li; Robert A. Jagt; Robert L. Z. Hoye; Robert L. Z. Hoye; Yen-Hung Lin; Mathieu Frégnaux; Zewei Li; R. D. Raninga; Tahmida N. Huq; Muriel Bouttemy; Mengyao Sun;handle: 10044/1/80123
Thin (approximately 10 nm) oxide buffer layers grown over lead-halide perovskite device stacks are critical for protecting the perovskite against mechanical and environmental damage. However, the limited perovskite stability restricts the processing methods and temperatures (<=110 C) that can be used to deposit the oxide overlayers, with the latter limiting the electronic properties of the oxides achievable. In this work, we demonstrate an alternative to existing methods that can grow pinhole-free TiOx (x = 2.00+/-0.05) films with the requisite thickness in <1 min without vacuum. This technique is atmospheric pressure chemical vapor deposition (AP-CVD). The rapid but soft deposition enables growth temperatures of >=180 ��C to be used to coat the perovskite. This is >=70 ��C higher than achievable by current methods and results in more conductive TiOx films, boosting solar cell efficiencies by >2%. Likewise, when AP-CVD SnOx (x ~ 2) is grown on perovskites, there is also minimal damage to the perovskite beneath. The SnOx layer is pinhole-free and conformal, which reduces shunting in devices, and increases steady-state efficiencies from 16.5% (no SnOx) to 19.4% (60 nm SnOx), with fill factors reaching 84%. This work shows AP-CVD to be a versatile technique for growing oxides on thermally-sensitive materials. R.D.R and R.A.J contributed equally. 23 pages. 6 figures
Hyper Article en Lig... arrow_drop_down Imperial College London: SpiralArticle . 2020License: CC BY NC NDFull-Text: http://hdl.handle.net/10044/1/80123Data sources: Bielefeld Academic Search Engine (BASE)Université de Versailles Saint-Quentin-en-Yvelines: HAL-UVSQArticle . 2020Full-Text: https://hal.science/hal-03032363Data sources: Bielefeld Academic Search Engine (BASE)Spiral - Imperial College Digital RepositoryArticle . 2020Data sources: Spiral - Imperial College Digital Repositoryhttps://dx.doi.org/10.48550/ar...Article . 2019License: arXiv Non-Exclusive DistributionData sources: Dataciteadd ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1016/j.nanoen.2020.104946&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euAccess RoutesGreen bronze 25 citations 25 popularity Top 10% influence Average impulse Top 10% Powered by BIP!
more_vert Hyper Article en Lig... arrow_drop_down Imperial College London: SpiralArticle . 2020License: CC BY NC NDFull-Text: http://hdl.handle.net/10044/1/80123Data sources: Bielefeld Academic Search Engine (BASE)Université de Versailles Saint-Quentin-en-Yvelines: HAL-UVSQArticle . 2020Full-Text: https://hal.science/hal-03032363Data sources: Bielefeld Academic Search Engine (BASE)Spiral - Imperial College Digital RepositoryArticle . 2020Data sources: Spiral - Imperial College Digital Repositoryhttps://dx.doi.org/10.48550/ar...Article . 2019License: arXiv Non-Exclusive DistributionData sources: Dataciteadd ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1016/j.nanoen.2020.104946&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article , Other literature type , Journal 2020Embargo end date: 21 Jan 2021 Italy, United Kingdom, Spain, Denmark, United Kingdom, Netherlands, Netherlands, Germany, Germany, United Kingdom, Spain, Switzerland, GermanyPublisher:Springer Science and Business Media LLC Funded by:EC | HYPERION, EC | ESPResSo, EC | APOLO +3 projectsEC| HYPERION ,EC| ESPResSo ,EC| APOLO ,RSF| Development of the technology of highly efficient and stable perovskite solar cells using steel substrates ,EC| GrapheneCore2 ,UKRI| SPECIFIC IKC Phase 2Nam-Gyu Park; Joseph J. Berry; Muriel Matheron; Jeff Kettle; Yulia Galagan; Francesca De Rossi; Francesca De Rossi; Harald Hoppe; Yueh-Lin Loo; Trystan Watson; Ramazan Yildirim; Sjoerd Veenstra; Vladimir Bulovic; Konrad Domanski; Shengzhong Frank Liu; Shengzhong Frank Liu; Anna Osherov; Mark V. Khenkin; Mark V. Khenkin; Ulrich S. Schubert; Michael D. McGehee; Michael D. McGehee; Diego Di Girolamo; Diego Di Girolamo; Aron Walsh; Aron Walsh; Francesca Brunetti; Marina S. Leite; Marina S. Leite; Giorgio Bardizza; Mohammad Khaja Nazeeruddin; Antonio Abate; Shaik M. Zakeeruddin; Eugene A. Katz; Michał Dusza; Chang-Qi Ma; Iris Visoly-Fisher; Michael Saliba; Michael Saliba; Hans Köbler; Aldo Di Carlo; Stéphane Cros; Anders Hagfeldt; Matthieu Manceau; Michael Grätzel; çaǧla Odabaşı; Elizabeth von Hauff; Rongrong Cheacharoen; Quinn Burlingame; Vida Turkovic; Ana Flávia Nogueira; Rico Meitzner; Yi-Bing Cheng; Haibing Xie; Monica Lira-Cantu; Morten Madsen; Kai Zhu; Alexander Colsmann; Stephen R. Forrest; Joseph M. Luther; Samuel D. Stranks; Christoph J. Brabec; Christoph J. Brabec; Henry J. Snaith; Wolfgang Tress; Pavel A. Troshin; Christopher J. Fell; Matthew O. Reese;AbstractImproving the long-term stability of perovskite solar cells is critical to the deployment of this technology. Despite the great emphasis laid on stability-related investigations, publications lack consistency in experimental procedures and parameters reported. It is therefore challenging to reproduce and compare results and thereby develop a deep understanding of degradation mechanisms. Here, we report a consensus between researchers in the field on procedures for testing perovskite solar cell stability, which are based on the International Summit on Organic Photovoltaic Stability (ISOS) protocols. We propose additional procedures to account for properties specific to PSCs such as ion redistribution under electric fields, reversible degradation and to distinguish ambient-induced degradation from other stress factors. These protocols are not intended as a replacement of the existing qualification standards, but rather they aim to unify the stability assessment and to understand failure modes. Finally, we identify key procedural information which we suggest reporting in publications to improve reproducibility and enable large data set analysis.
CORE arrow_drop_down Archivio della Ricerca - Università di Roma Tor vergataArticle . 2020Full-Text: http://hdl.handle.net/2108/233255Data sources: Bielefeld Academic Search Engine (BASE)Imperial College London: SpiralArticle . 2019License: CC BYFull-Text: http://hdl.handle.net/10044/1/84277Data sources: Bielefeld Academic Search Engine (BASE)KITopen (Karlsruhe Institute of Technologie)Article . 2020License: CC BYData sources: Bielefeld Academic Search Engine (BASE)Recolector de Ciencia Abierta, RECOLECTAArticle . 2020License: CC BYData sources: Recolector de Ciencia Abierta, RECOLECTARecolector de Ciencia Abierta, RECOLECTAArticle . 2020 . Peer-reviewedData sources: Recolector de Ciencia Abierta, RECOLECTARecolector de Ciencia Abierta, RECOLECTAArticle . 2020Data sources: Recolector de Ciencia Abierta, RECOLECTASpiral - Imperial College Digital RepositoryArticle . 2019License: CC BYData sources: Spiral - Imperial College Digital RepositoryDiposit Digital de Documents de la UABArticle . 2020License: CC BYData sources: Diposit Digital de Documents de la UABUniversity of Southern Denmark Research OutputArticle . 2020Data sources: University of Southern Denmark Research OutputNature EnergyArticle . 2020License: CC BYData sources: University of Southern Denmark Research OutputNature EnergyArticle . 2020add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1038/s41560-019-0529-5&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euAccess RoutesGreen hybrid 1K citations 1,149 popularity Top 0.01% influence Top 1% impulse Top 0.01% Powered by BIP!
visibility 383visibility views 383 download downloads 101 Powered bymore_vert CORE arrow_drop_down Archivio della Ricerca - Università di Roma Tor vergataArticle . 2020Full-Text: http://hdl.handle.net/2108/233255Data sources: Bielefeld Academic Search Engine (BASE)Imperial College London: SpiralArticle . 2019License: CC BYFull-Text: http://hdl.handle.net/10044/1/84277Data sources: Bielefeld Academic Search Engine (BASE)KITopen (Karlsruhe Institute of Technologie)Article . 2020License: CC BYData sources: Bielefeld Academic Search Engine (BASE)Recolector de Ciencia Abierta, RECOLECTAArticle . 2020License: CC BYData sources: Recolector de Ciencia Abierta, RECOLECTARecolector de Ciencia Abierta, RECOLECTAArticle . 2020 . Peer-reviewedData sources: Recolector de Ciencia Abierta, RECOLECTARecolector de Ciencia Abierta, RECOLECTAArticle . 2020Data sources: Recolector de Ciencia Abierta, RECOLECTASpiral - Imperial College Digital RepositoryArticle . 2019License: CC BYData sources: Spiral - Imperial College Digital RepositoryDiposit Digital de Documents de la UABArticle . 2020License: CC BYData sources: Diposit Digital de Documents de la UABUniversity of Southern Denmark Research OutputArticle . 2020Data sources: University of Southern Denmark Research OutputNature EnergyArticle . 2020License: CC BYData sources: University of Southern Denmark Research OutputNature EnergyArticle . 2020add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1038/s41560-019-0529-5&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article , Other literature type , Journal 2019Publisher:MDPI AG Authors: Adrian F Tuck;doi: 10.3390/e21111044
Recent observations show that many reactions are accelerated in microdroplets compared to bulk liquid and gas media. This acceleration has been shown to feature Gibbs free energy changes, ΔG, that are negative and so reaction enabling, compared to the reaction in bulk fluid when it is positive and so reaction blocking. Here, we argue how these ΔG changes are relatable to the crowding enforced by microdroplets and to scale invariance. It is argued that turbulent flow is present in microdroplets, which span meso and macroscales. That enables scale invariant methods to arrive at chemical potentials for the substances involved. G and ΔG can be computed from the difference between the whole microdroplet and the bulk medium, and also for individual chemical species in both cases, including separately the microdroplet’s surface film and interior, provided sufficiently fine resolution is available in the observations. Such results can be compared with results computed by quantum statistical mechanics using molecular spectroscopic data. This proposed research strategy therefore offers a path to test its validity in comparing traditional equilibrium quantum statistical thermodynamic tests of microdroplets with those based on scale invariant analysis of both their 2D surface and 3D interior fluid flows.
add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.3390/e21111044&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euAccess RoutesGreen gold 30 citations 30 popularity Top 10% influence Top 10% impulse Top 10% Powered by BIP!
more_vert add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.3390/e21111044&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article 2023Embargo end date: 28 May 2024 Australia, France, Spain, Italy, United Kingdom, United Kingdom, SpainPublisher:American Chemical Society (ACS) Funded by:UKRI | Understanding and Improvi..., UKRI | Supergen Storage Network ...UKRI| Understanding and Improving Electrochemical Carbon Dioxide Capture ,UKRI| Supergen Storage Network Plus 2019Gittins, Jamie; Chen, Yuan; Arnold, Stefanie; Augustyn, Veronica; Balducci, Andrea; Brousse, Thierry; Frackowiak, Elzbieta; Gómez-Romero, Pedro; Kanwade, Archana; Köps, Lukas; Jha, Plawan Kumar; Lyu, Dongxun; Meo, Michele; Pandey, Deepak; Pang, Le; Presser, Volker; Rapisarda, Mario; Rueda-García, Daniel; Saeed, Saeed; Shirage, Parasharam; Ślesiński, Adam; Soavi, Francesca; Thomas, Jayan; Titirici, Maria-Magdalena; Wang, Hongxia; Xu, Zhen; Yu, Aiping; Zhang, Maiwen; Forse, Alexander;Supercapacitors are fast-charging energy storage devices of great importance for developing robust and climate-friendly energy infrastructures for the future. Research in this field has seen rapid growth in recent years. Therefore, consistent reporting practices must be implemented to enable reliable comparison of device performance. Although several studies have highlighted the best practices for analysing and reporting data from such energy storage devices, there is yet to be an empirical study investigating whether researchers in the field are correctly implementing these recommendations, and which assesses the variation in reporting between different laboratories. Here, we address this deficit by carrying out the first interlaboratory study of the analysis of supercapacitor electrochemistry data. We find that the use of incorrect formulae and researchers having different interpretations of key terminologies are the primary causes of variability in data reporting. Furthermore, we highlight the more significant variation in reported results for electrochemical profiles showing non-ideal capacitive behaviour. From the insights gained through this study, we make additional recommendations to the community to help ensure consistent reporting of performance metrics moving forward.
Archivio istituziona... arrow_drop_down https://doi.org/10.26434/chemr...Article . 2023 . Peer-reviewedLicense: CC BYData sources: CrossrefRecolector de Ciencia Abierta, RECOLECTAArticle . 2023License: CC BYData sources: Recolector de Ciencia Abierta, RECOLECTARecolector de Ciencia Abierta, RECOLECTAArticle . 2023 . Peer-reviewedData sources: Recolector de Ciencia Abierta, RECOLECTADiposit Digital de Documents de la UABArticle . 2023License: CC BYData sources: Diposit Digital de Documents de la UABUniversité de Nantes: HAL-UNIV-NANTESArticle . 2023Data sources: Bielefeld Academic Search Engine (BASE)The University of Manchester - Institutional RepositoryArticle . 2023Data sources: The University of Manchester - Institutional RepositoryQueensland University of Technology: QUT ePrintsArticle . 2023Data sources: Bielefeld Academic Search Engine (BASE)Université de Nantes: HAL-UNIV-NANTESArticle . 2023Data sources: Bielefeld Academic Search Engine (BASE)add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.26434/chemrxiv-2023-fjllf-v2&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu21 citations 21 popularity Top 10% influence Average impulse Top 10% Powered by BIP!
more_vert Archivio istituziona... arrow_drop_down https://doi.org/10.26434/chemr...Article . 2023 . Peer-reviewedLicense: CC BYData sources: CrossrefRecolector de Ciencia Abierta, RECOLECTAArticle . 2023License: CC BYData sources: Recolector de Ciencia Abierta, RECOLECTARecolector de Ciencia Abierta, RECOLECTAArticle . 2023 . Peer-reviewedData sources: Recolector de Ciencia Abierta, RECOLECTADiposit Digital de Documents de la UABArticle . 2023License: CC BYData sources: Diposit Digital de Documents de la UABUniversité de Nantes: HAL-UNIV-NANTESArticle . 2023Data sources: Bielefeld Academic Search Engine (BASE)The University of Manchester - Institutional RepositoryArticle . 2023Data sources: The University of Manchester - Institutional RepositoryQueensland University of Technology: QUT ePrintsArticle . 2023Data sources: Bielefeld Academic Search Engine (BASE)Université de Nantes: HAL-UNIV-NANTESArticle . 2023Data sources: Bielefeld Academic Search Engine (BASE)add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.26434/chemrxiv-2023-fjllf-v2&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article , Other literature type , Journal 2016 United KingdomPublisher:Elsevier BV Funded by:UKRI | Applying Long-lived Metas..., UKRI | Doctoral Training Centre ..., EC | HYBRIDS +4 projectsUKRI| Applying Long-lived Metastable States with Switchable Functionality via Kinetic Control of Molecular Assembly - a Programme in Functional Materials ,UKRI| Doctoral Training Centre in Sustainable Chemical Technologies ,EC| HYBRIDS ,UKRI| Photovoltaic Technology based on Earth Abundant Materials - PVTEAM ,UKRI| SUPERSOLAR Solar Energy Hub ,UKRI| Energy Materials: Computational Solutions ,UKRI| Multi-Scale Modelling of Hybrid Perovskites for Solar CellsDavies, DW; Butler, KT; Jackson, AJ; Morris, A; Frost, JM; Skelton, JM; Walsh, A;Forming a four-component compound from the first 103 elements of the periodic table results in more than 1012 combinations. Such a materials space is intractable to high-throughput experiment or first-principle computation. We introduce a framework to address this problem and quantify how many materials can exist. We apply principles of valency and electronegativity to filter chemically implausible compositions, which reduces the inorganic quaternary space to 1010 combinations. We demonstrate that estimates of band gaps and absolute electron energies can be made simply on the basis of the chemical composition and apply this to the search for new semiconducting materials to support the photoelectrochemical splitting of water. We show the applicability to predicting crystal structure by analogy with known compounds, including exploration of the phase space for ternary combinations that form a perovskite lattice. Computer screening reproduces known perovskite materials and predicts the feasibility of thousands more. Given the simplicity of the approach, large-scale searches can be performed on a single workstation.
Imperial College Lon... arrow_drop_down Imperial College London: SpiralArticle . 2016License: CC BYFull-Text: http://hdl.handle.net/10044/1/44319Data sources: Bielefeld Academic Search Engine (BASE)Spiral - Imperial College Digital RepositoryArticle . 2016Data sources: Spiral - Imperial College Digital RepositoryThe University of Manchester - Institutional RepositoryArticle . 2016Data sources: The University of Manchester - Institutional Repositoryadd ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1016/j.chempr.2016.09.010&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euAccess RoutesGreen hybrid 140 citations 140 popularity Top 1% influence Top 10% impulse Top 1% Powered by BIP!
more_vert Imperial College Lon... arrow_drop_down Imperial College London: SpiralArticle . 2016License: CC BYFull-Text: http://hdl.handle.net/10044/1/44319Data sources: Bielefeld Academic Search Engine (BASE)Spiral - Imperial College Digital RepositoryArticle . 2016Data sources: Spiral - Imperial College Digital RepositoryThe University of Manchester - Institutional RepositoryArticle . 2016Data sources: The University of Manchester - Institutional Repositoryadd ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1016/j.chempr.2016.09.010&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article , Journal 2019 United KingdomPublisher:Elsevier BV Funded by:UKRI | Low carbon jet fuel throu..., UKRI | Smart Microfluidics Towar..., EC | RDC2MTUKRI| Low carbon jet fuel through integration of novel technologies for co-valorisation of CO2 and biomass ,UKRI| Smart Microfluidics Towards Low-Cost High-Performance Li-Ion Batteries ,EC| RDC2MTZhao, Tianyu; Ojeda, Manuel; Xuan, Jin; Shu, Zhan; Wang, Huizhi;Abstract Aluminum storage in rutile-based TiO2 nanoparticles was for the first time investigated. Electrochemical characteristics of rutile-based TiO2 nanoparticles as an electrode for aluminum-ion batteries were studied using cyclic voltammetry, chronopotentiometry and electrochemical impedance spectroscopy. The first discharge capacity of 29.4 mAh·g-1 was achieved, and the value remains 22.6 mAh·g-1 after 50 cycles. The highest coulombic efficiency achieved at 89.8%.
e-Prints Soton arrow_drop_down e-Prints SotonArticle . 2019License: CC BY NC NDData sources: Bielefeld Academic Search Engine (BASE)add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1016/j.egypro.2019.01.712&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euAccess RoutesGreen gold 1 citations 1 popularity Average influence Average impulse Average Powered by BIP!
more_vert e-Prints Soton arrow_drop_down e-Prints SotonArticle . 2019License: CC BY NC NDData sources: Bielefeld Academic Search Engine (BASE)add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1016/j.egypro.2019.01.712&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article , Journal 2016 Saudi ArabiaPublisher:Wiley Authors: Udo Schwingenschlögl; Jiajie Zhu; Alexander Chroneos; Alexander Chroneos;handle: 10754/621532
CO2 capture and storage technology is of key importance to reduce the greenhouse effect. By its large surface area and sp3 hybridization, Li‐functionalized silicene is demonstrated to be a promising CO2 absorbent that is stable up to at least 500 K and has a very high storage capacity of 28.6 mol/kg (55.7 wt%). The adsorption energy of CO2 on Li‐functionalized silicene is enhanced as compared to pristine silicene, to attain an almost ideal value that still facilitates easy release. In addition, the band gap is found to change sensitively with the CO2 coverage. (© 2016 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)
physica status solid... arrow_drop_down physica status solidi (RRL) - Rapid Research LettersArticle . 2016 . Peer-reviewedLicense: Wiley Online Library User AgreementData sources: CrossrefKing Abdullah University of Science and Technology: KAUST RepositoryArticle . 2016Data sources: Bielefeld Academic Search Engine (BASE)add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1002/pssr.201600102&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu3 citations 3 popularity Average influence Average impulse Average Powered by BIP!
more_vert physica status solid... arrow_drop_down physica status solidi (RRL) - Rapid Research LettersArticle . 2016 . Peer-reviewedLicense: Wiley Online Library User AgreementData sources: CrossrefKing Abdullah University of Science and Technology: KAUST RepositoryArticle . 2016Data sources: Bielefeld Academic Search Engine (BASE)add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1002/pssr.201600102&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article , Journal 2018 United KingdomPublisher:Royal Society of Chemistry (RSC) Daniele Padovan; Søren Tolborg; Luca Botti; Esben Taarning; Irantzu Sádaba; Ceri Hammond;doi: 10.1039/c7re00180k
handle: 10044/1/76636
The stability of Sn-beta for the continuous upgrading of sugars is enhanced dramatically by small amounts of water.
CORE arrow_drop_down Spiral - Imperial College Digital RepositoryArticle . 2017Data sources: Spiral - Imperial College Digital RepositoryReaction Chemistry & EngineeringArticle . 2018 . Peer-reviewedLicense: Royal Society of Chemistry Licence to PublishData sources: Crossrefadd ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1039/c7re00180k&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euAccess RoutesGreen bronze 37 citations 37 popularity Top 10% influence Top 10% impulse Top 10% Powered by BIP!
more_vert CORE arrow_drop_down Spiral - Imperial College Digital RepositoryArticle . 2017Data sources: Spiral - Imperial College Digital RepositoryReaction Chemistry & EngineeringArticle . 2018 . Peer-reviewedLicense: Royal Society of Chemistry Licence to PublishData sources: Crossrefadd ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1039/c7re00180k&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article , Journal 2018 United KingdomPublisher:American Chemical Society (ACS) Funded by:UKRI | SUPERSOLAR Solar Energy H..., UKRI | Multi-Scale Modelling of ...UKRI| SUPERSOLAR Solar Energy Hub ,UKRI| Multi-Scale Modelling of Hybrid Perovskites for Solar CellsGregor Kieslich; Jonathan Michael Skelton; Jeff Armstrong; Yue Wu; Fengxia Wei; Katrine Louise Svane; Aron Walsh; Keith T. Butler;The enormous research efforts dedicated to hybrid organic–inorganic perovskites have led to a deep understanding of these materials; however, the role of entropy and its ramifications for the properties of the materials have been only sparsely explored. In this study, we quantify the phase transition mechanism in the hybrid organic–inorganic perovskite [CH3NH3]PbBr3 by studying low-energy collective phonon modes using a combination of inelastic neutron scattering and ab initio lattice dynamics. We demonstrate that a delicate interplay among hydrogen bonding interactions, lattice vibrational entropy, and configurational disorder determines the thermodynamics and results in the rich phase evolution of [CH3NH3]PbBr3 as a function of temperature. Our results have important implications for the manipulation of macroscopic properties and provide a blueprint for future studies that will focus on unravelling phase transition mechanisms in hybrid perovskites and related materials such as dense and porous coordinat...
add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1021/acs.chemmater.8b03164&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euAccess RoutesGreen bronze 29 citations 29 popularity Top 10% influence Top 10% impulse Top 10% Powered by BIP!
more_vert add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1021/acs.chemmater.8b03164&type=result"></script>'); --> </script>
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description Publicationkeyboard_double_arrow_right Article , Journal 2021Publisher:American Chemical Society (ACS) Kang Wu; Jianyue Jiao; Na Li; Min Wang; Guofeng Jia; Yu Lin Lee; Rongbin Dang; Xin Deng; Xiaoling Xiao; Zhijian Wu;Layered O3-phase LiNi0.8Co0.1Mn0.1O2 (NCM811) material has shown great potential for lithium-ion batteries (LIBs). However, capacity attenuation and irreversible phase transitions have been serious...
Smithsonian figshare arrow_drop_down Smithsonian figshareArticle . 2021License: CC BY NCData sources: Bielefeld Academic Search Engine (BASE)The Journal of Physical Chemistry CArticle . 2021 . Peer-reviewedLicense: STM Policy #29Data sources: Crossrefadd ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1021/acs.jpcc.1c01727&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu21 citations 21 popularity Top 10% influence Average impulse Top 10% Powered by BIP!
more_vert Smithsonian figshare arrow_drop_down Smithsonian figshareArticle . 2021License: CC BY NCData sources: Bielefeld Academic Search Engine (BASE)The Journal of Physical Chemistry CArticle . 2021 . Peer-reviewedLicense: STM Policy #29Data sources: Crossrefadd ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1021/acs.jpcc.1c01727&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article , Preprint , Journal 2020Embargo end date: 01 Jan 2019 China (People's Republic of), United Kingdom, France, China (People's Republic of), China (People's Republic of)Publisher:Elsevier BV Funded by:UKRI | EPSRC Centre for Doctoral..., UKRI | Equipment Account: Integr..., UKRI | ECCS - EPSRC Development ... +6 projectsUKRI| EPSRC Centre for Doctoral Training in Graphene Technology ,UKRI| Equipment Account: Integrated Thin Film Deposition and Analysis System ,UKRI| ECCS - EPSRC Development of uniform, low power, high density resistive memory by vertical interface and defect design ,UKRI| Control of spin and coherence in electronic excitations in organic and hybrid organic/inorganic semiconductor structures ,UKRI| DTP 2016-2017 University of Cambridge ,UKRI| Precision Manufacturing of Flexible CMOS ,ANR| InHyMat-PV ,EC| Robust OTFT sensors ,UKRI| Centre for Advanced Materials for Integrated Energy Systems (CAM-IES)Philip Schulz; Judith L. MacManus-Driscoll; Wen Li; Wen Li; Mark Nikolka; Henry J. Snaith; Solène Béchu; Weiwei Li; Robert A. Jagt; Robert L. Z. Hoye; Robert L. Z. Hoye; Yen-Hung Lin; Mathieu Frégnaux; Zewei Li; R. D. Raninga; Tahmida N. Huq; Muriel Bouttemy; Mengyao Sun;handle: 10044/1/80123
Thin (approximately 10 nm) oxide buffer layers grown over lead-halide perovskite device stacks are critical for protecting the perovskite against mechanical and environmental damage. However, the limited perovskite stability restricts the processing methods and temperatures (<=110 C) that can be used to deposit the oxide overlayers, with the latter limiting the electronic properties of the oxides achievable. In this work, we demonstrate an alternative to existing methods that can grow pinhole-free TiOx (x = 2.00+/-0.05) films with the requisite thickness in <1 min without vacuum. This technique is atmospheric pressure chemical vapor deposition (AP-CVD). The rapid but soft deposition enables growth temperatures of >=180 ��C to be used to coat the perovskite. This is >=70 ��C higher than achievable by current methods and results in more conductive TiOx films, boosting solar cell efficiencies by >2%. Likewise, when AP-CVD SnOx (x ~ 2) is grown on perovskites, there is also minimal damage to the perovskite beneath. The SnOx layer is pinhole-free and conformal, which reduces shunting in devices, and increases steady-state efficiencies from 16.5% (no SnOx) to 19.4% (60 nm SnOx), with fill factors reaching 84%. This work shows AP-CVD to be a versatile technique for growing oxides on thermally-sensitive materials. R.D.R and R.A.J contributed equally. 23 pages. 6 figures
Hyper Article en Lig... arrow_drop_down Imperial College London: SpiralArticle . 2020License: CC BY NC NDFull-Text: http://hdl.handle.net/10044/1/80123Data sources: Bielefeld Academic Search Engine (BASE)Université de Versailles Saint-Quentin-en-Yvelines: HAL-UVSQArticle . 2020Full-Text: https://hal.science/hal-03032363Data sources: Bielefeld Academic Search Engine (BASE)Spiral - Imperial College Digital RepositoryArticle . 2020Data sources: Spiral - Imperial College Digital Repositoryhttps://dx.doi.org/10.48550/ar...Article . 2019License: arXiv Non-Exclusive DistributionData sources: Dataciteadd ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1016/j.nanoen.2020.104946&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euAccess RoutesGreen bronze 25 citations 25 popularity Top 10% influence Average impulse Top 10% Powered by BIP!
more_vert Hyper Article en Lig... arrow_drop_down Imperial College London: SpiralArticle . 2020License: CC BY NC NDFull-Text: http://hdl.handle.net/10044/1/80123Data sources: Bielefeld Academic Search Engine (BASE)Université de Versailles Saint-Quentin-en-Yvelines: HAL-UVSQArticle . 2020Full-Text: https://hal.science/hal-03032363Data sources: Bielefeld Academic Search Engine (BASE)Spiral - Imperial College Digital RepositoryArticle . 2020Data sources: Spiral - Imperial College Digital Repositoryhttps://dx.doi.org/10.48550/ar...Article . 2019License: arXiv Non-Exclusive DistributionData sources: Dataciteadd ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1016/j.nanoen.2020.104946&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article , Other literature type , Journal 2020Embargo end date: 21 Jan 2021 Italy, United Kingdom, Spain, Denmark, United Kingdom, Netherlands, Netherlands, Germany, Germany, United Kingdom, Spain, Switzerland, GermanyPublisher:Springer Science and Business Media LLC Funded by:EC | HYPERION, EC | ESPResSo, EC | APOLO +3 projectsEC| HYPERION ,EC| ESPResSo ,EC| APOLO ,RSF| Development of the technology of highly efficient and stable perovskite solar cells using steel substrates ,EC| GrapheneCore2 ,UKRI| SPECIFIC IKC Phase 2Nam-Gyu Park; Joseph J. Berry; Muriel Matheron; Jeff Kettle; Yulia Galagan; Francesca De Rossi; Francesca De Rossi; Harald Hoppe; Yueh-Lin Loo; Trystan Watson; Ramazan Yildirim; Sjoerd Veenstra; Vladimir Bulovic; Konrad Domanski; Shengzhong Frank Liu; Shengzhong Frank Liu; Anna Osherov; Mark V. Khenkin; Mark V. Khenkin; Ulrich S. Schubert; Michael D. McGehee; Michael D. McGehee; Diego Di Girolamo; Diego Di Girolamo; Aron Walsh; Aron Walsh; Francesca Brunetti; Marina S. Leite; Marina S. Leite; Giorgio Bardizza; Mohammad Khaja Nazeeruddin; Antonio Abate; Shaik M. Zakeeruddin; Eugene A. Katz; Michał Dusza; Chang-Qi Ma; Iris Visoly-Fisher; Michael Saliba; Michael Saliba; Hans Köbler; Aldo Di Carlo; Stéphane Cros; Anders Hagfeldt; Matthieu Manceau; Michael Grätzel; çaǧla Odabaşı; Elizabeth von Hauff; Rongrong Cheacharoen; Quinn Burlingame; Vida Turkovic; Ana Flávia Nogueira; Rico Meitzner; Yi-Bing Cheng; Haibing Xie; Monica Lira-Cantu; Morten Madsen; Kai Zhu; Alexander Colsmann; Stephen R. Forrest; Joseph M. Luther; Samuel D. Stranks; Christoph J. Brabec; Christoph J. Brabec; Henry J. Snaith; Wolfgang Tress; Pavel A. Troshin; Christopher J. Fell; Matthew O. Reese;AbstractImproving the long-term stability of perovskite solar cells is critical to the deployment of this technology. Despite the great emphasis laid on stability-related investigations, publications lack consistency in experimental procedures and parameters reported. It is therefore challenging to reproduce and compare results and thereby develop a deep understanding of degradation mechanisms. Here, we report a consensus between researchers in the field on procedures for testing perovskite solar cell stability, which are based on the International Summit on Organic Photovoltaic Stability (ISOS) protocols. We propose additional procedures to account for properties specific to PSCs such as ion redistribution under electric fields, reversible degradation and to distinguish ambient-induced degradation from other stress factors. These protocols are not intended as a replacement of the existing qualification standards, but rather they aim to unify the stability assessment and to understand failure modes. Finally, we identify key procedural information which we suggest reporting in publications to improve reproducibility and enable large data set analysis.
CORE arrow_drop_down Archivio della Ricerca - Università di Roma Tor vergataArticle . 2020Full-Text: http://hdl.handle.net/2108/233255Data sources: Bielefeld Academic Search Engine (BASE)Imperial College London: SpiralArticle . 2019License: CC BYFull-Text: http://hdl.handle.net/10044/1/84277Data sources: Bielefeld Academic Search Engine (BASE)KITopen (Karlsruhe Institute of Technologie)Article . 2020License: CC BYData sources: Bielefeld Academic Search Engine (BASE)Recolector de Ciencia Abierta, RECOLECTAArticle . 2020License: CC BYData sources: Recolector de Ciencia Abierta, RECOLECTARecolector de Ciencia Abierta, RECOLECTAArticle . 2020 . Peer-reviewedData sources: Recolector de Ciencia Abierta, RECOLECTARecolector de Ciencia Abierta, RECOLECTAArticle . 2020Data sources: Recolector de Ciencia Abierta, RECOLECTASpiral - Imperial College Digital RepositoryArticle . 2019License: CC BYData sources: Spiral - Imperial College Digital RepositoryDiposit Digital de Documents de la UABArticle . 2020License: CC BYData sources: Diposit Digital de Documents de la UABUniversity of Southern Denmark Research OutputArticle . 2020Data sources: University of Southern Denmark Research OutputNature EnergyArticle . 2020License: CC BYData sources: University of Southern Denmark Research OutputNature EnergyArticle . 2020add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1038/s41560-019-0529-5&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euAccess RoutesGreen hybrid 1K citations 1,149 popularity Top 0.01% influence Top 1% impulse Top 0.01% Powered by BIP!
visibility 383visibility views 383 download downloads 101 Powered bymore_vert CORE arrow_drop_down Archivio della Ricerca - Università di Roma Tor vergataArticle . 2020Full-Text: http://hdl.handle.net/2108/233255Data sources: Bielefeld Academic Search Engine (BASE)Imperial College London: SpiralArticle . 2019License: CC BYFull-Text: http://hdl.handle.net/10044/1/84277Data sources: Bielefeld Academic Search Engine (BASE)KITopen (Karlsruhe Institute of Technologie)Article . 2020License: CC BYData sources: Bielefeld Academic Search Engine (BASE)Recolector de Ciencia Abierta, RECOLECTAArticle . 2020License: CC BYData sources: Recolector de Ciencia Abierta, RECOLECTARecolector de Ciencia Abierta, RECOLECTAArticle . 2020 . Peer-reviewedData sources: Recolector de Ciencia Abierta, RECOLECTARecolector de Ciencia Abierta, RECOLECTAArticle . 2020Data sources: Recolector de Ciencia Abierta, RECOLECTASpiral - Imperial College Digital RepositoryArticle . 2019License: CC BYData sources: Spiral - Imperial College Digital RepositoryDiposit Digital de Documents de la UABArticle . 2020License: CC BYData sources: Diposit Digital de Documents de la UABUniversity of Southern Denmark Research OutputArticle . 2020Data sources: University of Southern Denmark Research OutputNature EnergyArticle . 2020License: CC BYData sources: University of Southern Denmark Research OutputNature EnergyArticle . 2020add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1038/s41560-019-0529-5&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article , Other literature type , Journal 2019Publisher:MDPI AG Authors: Adrian F Tuck;doi: 10.3390/e21111044
Recent observations show that many reactions are accelerated in microdroplets compared to bulk liquid and gas media. This acceleration has been shown to feature Gibbs free energy changes, ΔG, that are negative and so reaction enabling, compared to the reaction in bulk fluid when it is positive and so reaction blocking. Here, we argue how these ΔG changes are relatable to the crowding enforced by microdroplets and to scale invariance. It is argued that turbulent flow is present in microdroplets, which span meso and macroscales. That enables scale invariant methods to arrive at chemical potentials for the substances involved. G and ΔG can be computed from the difference between the whole microdroplet and the bulk medium, and also for individual chemical species in both cases, including separately the microdroplet’s surface film and interior, provided sufficiently fine resolution is available in the observations. Such results can be compared with results computed by quantum statistical mechanics using molecular spectroscopic data. This proposed research strategy therefore offers a path to test its validity in comparing traditional equilibrium quantum statistical thermodynamic tests of microdroplets with those based on scale invariant analysis of both their 2D surface and 3D interior fluid flows.
add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.3390/e21111044&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euAccess RoutesGreen gold 30 citations 30 popularity Top 10% influence Top 10% impulse Top 10% Powered by BIP!
more_vert add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.3390/e21111044&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article 2023Embargo end date: 28 May 2024 Australia, France, Spain, Italy, United Kingdom, United Kingdom, SpainPublisher:American Chemical Society (ACS) Funded by:UKRI | Understanding and Improvi..., UKRI | Supergen Storage Network ...UKRI| Understanding and Improving Electrochemical Carbon Dioxide Capture ,UKRI| Supergen Storage Network Plus 2019Gittins, Jamie; Chen, Yuan; Arnold, Stefanie; Augustyn, Veronica; Balducci, Andrea; Brousse, Thierry; Frackowiak, Elzbieta; Gómez-Romero, Pedro; Kanwade, Archana; Köps, Lukas; Jha, Plawan Kumar; Lyu, Dongxun; Meo, Michele; Pandey, Deepak; Pang, Le; Presser, Volker; Rapisarda, Mario; Rueda-García, Daniel; Saeed, Saeed; Shirage, Parasharam; Ślesiński, Adam; Soavi, Francesca; Thomas, Jayan; Titirici, Maria-Magdalena; Wang, Hongxia; Xu, Zhen; Yu, Aiping; Zhang, Maiwen; Forse, Alexander;Supercapacitors are fast-charging energy storage devices of great importance for developing robust and climate-friendly energy infrastructures for the future. Research in this field has seen rapid growth in recent years. Therefore, consistent reporting practices must be implemented to enable reliable comparison of device performance. Although several studies have highlighted the best practices for analysing and reporting data from such energy storage devices, there is yet to be an empirical study investigating whether researchers in the field are correctly implementing these recommendations, and which assesses the variation in reporting between different laboratories. Here, we address this deficit by carrying out the first interlaboratory study of the analysis of supercapacitor electrochemistry data. We find that the use of incorrect formulae and researchers having different interpretations of key terminologies are the primary causes of variability in data reporting. Furthermore, we highlight the more significant variation in reported results for electrochemical profiles showing non-ideal capacitive behaviour. From the insights gained through this study, we make additional recommendations to the community to help ensure consistent reporting of performance metrics moving forward.
Archivio istituziona... arrow_drop_down https://doi.org/10.26434/chemr...Article . 2023 . Peer-reviewedLicense: CC BYData sources: CrossrefRecolector de Ciencia Abierta, RECOLECTAArticle . 2023License: CC BYData sources: Recolector de Ciencia Abierta, RECOLECTARecolector de Ciencia Abierta, RECOLECTAArticle . 2023 . Peer-reviewedData sources: Recolector de Ciencia Abierta, RECOLECTADiposit Digital de Documents de la UABArticle . 2023License: CC BYData sources: Diposit Digital de Documents de la UABUniversité de Nantes: HAL-UNIV-NANTESArticle . 2023Data sources: Bielefeld Academic Search Engine (BASE)The University of Manchester - Institutional RepositoryArticle . 2023Data sources: The University of Manchester - Institutional RepositoryQueensland University of Technology: QUT ePrintsArticle . 2023Data sources: Bielefeld Academic Search Engine (BASE)Université de Nantes: HAL-UNIV-NANTESArticle . 2023Data sources: Bielefeld Academic Search Engine (BASE)add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.26434/chemrxiv-2023-fjllf-v2&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu21 citations 21 popularity Top 10% influence Average impulse Top 10% Powered by BIP!
more_vert Archivio istituziona... arrow_drop_down https://doi.org/10.26434/chemr...Article . 2023 . Peer-reviewedLicense: CC BYData sources: CrossrefRecolector de Ciencia Abierta, RECOLECTAArticle . 2023License: CC BYData sources: Recolector de Ciencia Abierta, RECOLECTARecolector de Ciencia Abierta, RECOLECTAArticle . 2023 . Peer-reviewedData sources: Recolector de Ciencia Abierta, RECOLECTADiposit Digital de Documents de la UABArticle . 2023License: CC BYData sources: Diposit Digital de Documents de la UABUniversité de Nantes: HAL-UNIV-NANTESArticle . 2023Data sources: Bielefeld Academic Search Engine (BASE)The University of Manchester - Institutional RepositoryArticle . 2023Data sources: The University of Manchester - Institutional RepositoryQueensland University of Technology: QUT ePrintsArticle . 2023Data sources: Bielefeld Academic Search Engine (BASE)Université de Nantes: HAL-UNIV-NANTESArticle . 2023Data sources: Bielefeld Academic Search Engine (BASE)add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.26434/chemrxiv-2023-fjllf-v2&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article , Other literature type , Journal 2016 United KingdomPublisher:Elsevier BV Funded by:UKRI | Applying Long-lived Metas..., UKRI | Doctoral Training Centre ..., EC | HYBRIDS +4 projectsUKRI| Applying Long-lived Metastable States with Switchable Functionality via Kinetic Control of Molecular Assembly - a Programme in Functional Materials ,UKRI| Doctoral Training Centre in Sustainable Chemical Technologies ,EC| HYBRIDS ,UKRI| Photovoltaic Technology based on Earth Abundant Materials - PVTEAM ,UKRI| SUPERSOLAR Solar Energy Hub ,UKRI| Energy Materials: Computational Solutions ,UKRI| Multi-Scale Modelling of Hybrid Perovskites for Solar CellsDavies, DW; Butler, KT; Jackson, AJ; Morris, A; Frost, JM; Skelton, JM; Walsh, A;Forming a four-component compound from the first 103 elements of the periodic table results in more than 1012 combinations. Such a materials space is intractable to high-throughput experiment or first-principle computation. We introduce a framework to address this problem and quantify how many materials can exist. We apply principles of valency and electronegativity to filter chemically implausible compositions, which reduces the inorganic quaternary space to 1010 combinations. We demonstrate that estimates of band gaps and absolute electron energies can be made simply on the basis of the chemical composition and apply this to the search for new semiconducting materials to support the photoelectrochemical splitting of water. We show the applicability to predicting crystal structure by analogy with known compounds, including exploration of the phase space for ternary combinations that form a perovskite lattice. Computer screening reproduces known perovskite materials and predicts the feasibility of thousands more. Given the simplicity of the approach, large-scale searches can be performed on a single workstation.
Imperial College Lon... arrow_drop_down Imperial College London: SpiralArticle . 2016License: CC BYFull-Text: http://hdl.handle.net/10044/1/44319Data sources: Bielefeld Academic Search Engine (BASE)Spiral - Imperial College Digital RepositoryArticle . 2016Data sources: Spiral - Imperial College Digital RepositoryThe University of Manchester - Institutional RepositoryArticle . 2016Data sources: The University of Manchester - Institutional Repositoryadd ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1016/j.chempr.2016.09.010&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euAccess RoutesGreen hybrid 140 citations 140 popularity Top 1% influence Top 10% impulse Top 1% Powered by BIP!
more_vert Imperial College Lon... arrow_drop_down Imperial College London: SpiralArticle . 2016License: CC BYFull-Text: http://hdl.handle.net/10044/1/44319Data sources: Bielefeld Academic Search Engine (BASE)Spiral - Imperial College Digital RepositoryArticle . 2016Data sources: Spiral - Imperial College Digital RepositoryThe University of Manchester - Institutional RepositoryArticle . 2016Data sources: The University of Manchester - Institutional Repositoryadd ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1016/j.chempr.2016.09.010&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article , Journal 2019 United KingdomPublisher:Elsevier BV Funded by:UKRI | Low carbon jet fuel throu..., UKRI | Smart Microfluidics Towar..., EC | RDC2MTUKRI| Low carbon jet fuel through integration of novel technologies for co-valorisation of CO2 and biomass ,UKRI| Smart Microfluidics Towards Low-Cost High-Performance Li-Ion Batteries ,EC| RDC2MTZhao, Tianyu; Ojeda, Manuel; Xuan, Jin; Shu, Zhan; Wang, Huizhi;Abstract Aluminum storage in rutile-based TiO2 nanoparticles was for the first time investigated. Electrochemical characteristics of rutile-based TiO2 nanoparticles as an electrode for aluminum-ion batteries were studied using cyclic voltammetry, chronopotentiometry and electrochemical impedance spectroscopy. The first discharge capacity of 29.4 mAh·g-1 was achieved, and the value remains 22.6 mAh·g-1 after 50 cycles. The highest coulombic efficiency achieved at 89.8%.
e-Prints Soton arrow_drop_down e-Prints SotonArticle . 2019License: CC BY NC NDData sources: Bielefeld Academic Search Engine (BASE)add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1016/j.egypro.2019.01.712&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euAccess RoutesGreen gold 1 citations 1 popularity Average influence Average impulse Average Powered by BIP!
more_vert e-Prints Soton arrow_drop_down e-Prints SotonArticle . 2019License: CC BY NC NDData sources: Bielefeld Academic Search Engine (BASE)add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1016/j.egypro.2019.01.712&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article , Journal 2016 Saudi ArabiaPublisher:Wiley Authors: Udo Schwingenschlögl; Jiajie Zhu; Alexander Chroneos; Alexander Chroneos;handle: 10754/621532
CO2 capture and storage technology is of key importance to reduce the greenhouse effect. By its large surface area and sp3 hybridization, Li‐functionalized silicene is demonstrated to be a promising CO2 absorbent that is stable up to at least 500 K and has a very high storage capacity of 28.6 mol/kg (55.7 wt%). The adsorption energy of CO2 on Li‐functionalized silicene is enhanced as compared to pristine silicene, to attain an almost ideal value that still facilitates easy release. In addition, the band gap is found to change sensitively with the CO2 coverage. (© 2016 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)
physica status solid... arrow_drop_down physica status solidi (RRL) - Rapid Research LettersArticle . 2016 . Peer-reviewedLicense: Wiley Online Library User AgreementData sources: CrossrefKing Abdullah University of Science and Technology: KAUST RepositoryArticle . 2016Data sources: Bielefeld Academic Search Engine (BASE)add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1002/pssr.201600102&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu3 citations 3 popularity Average influence Average impulse Average Powered by BIP!
more_vert physica status solid... arrow_drop_down physica status solidi (RRL) - Rapid Research LettersArticle . 2016 . Peer-reviewedLicense: Wiley Online Library User AgreementData sources: CrossrefKing Abdullah University of Science and Technology: KAUST RepositoryArticle . 2016Data sources: Bielefeld Academic Search Engine (BASE)add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1002/pssr.201600102&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article , Journal 2018 United KingdomPublisher:Royal Society of Chemistry (RSC) Daniele Padovan; Søren Tolborg; Luca Botti; Esben Taarning; Irantzu Sádaba; Ceri Hammond;doi: 10.1039/c7re00180k
handle: 10044/1/76636
The stability of Sn-beta for the continuous upgrading of sugars is enhanced dramatically by small amounts of water.
CORE arrow_drop_down Spiral - Imperial College Digital RepositoryArticle . 2017Data sources: Spiral - Imperial College Digital RepositoryReaction Chemistry & EngineeringArticle . 2018 . Peer-reviewedLicense: Royal Society of Chemistry Licence to PublishData sources: Crossrefadd ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1039/c7re00180k&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euAccess RoutesGreen bronze 37 citations 37 popularity Top 10% influence Top 10% impulse Top 10% Powered by BIP!
more_vert CORE arrow_drop_down Spiral - Imperial College Digital RepositoryArticle . 2017Data sources: Spiral - Imperial College Digital RepositoryReaction Chemistry & EngineeringArticle . 2018 . Peer-reviewedLicense: Royal Society of Chemistry Licence to PublishData sources: Crossrefadd ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1039/c7re00180k&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article , Journal 2018 United KingdomPublisher:American Chemical Society (ACS) Funded by:UKRI | SUPERSOLAR Solar Energy H..., UKRI | Multi-Scale Modelling of ...UKRI| SUPERSOLAR Solar Energy Hub ,UKRI| Multi-Scale Modelling of Hybrid Perovskites for Solar CellsGregor Kieslich; Jonathan Michael Skelton; Jeff Armstrong; Yue Wu; Fengxia Wei; Katrine Louise Svane; Aron Walsh; Keith T. Butler;The enormous research efforts dedicated to hybrid organic–inorganic perovskites have led to a deep understanding of these materials; however, the role of entropy and its ramifications for the properties of the materials have been only sparsely explored. In this study, we quantify the phase transition mechanism in the hybrid organic–inorganic perovskite [CH3NH3]PbBr3 by studying low-energy collective phonon modes using a combination of inelastic neutron scattering and ab initio lattice dynamics. We demonstrate that a delicate interplay among hydrogen bonding interactions, lattice vibrational entropy, and configurational disorder determines the thermodynamics and results in the rich phase evolution of [CH3NH3]PbBr3 as a function of temperature. Our results have important implications for the manipulation of macroscopic properties and provide a blueprint for future studies that will focus on unravelling phase transition mechanisms in hybrid perovskites and related materials such as dense and porous coordinat...
add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1021/acs.chemmater.8b03164&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euAccess RoutesGreen bronze 29 citations 29 popularity Top 10% influence Top 10% impulse Top 10% Powered by BIP!
more_vert add ClaimPlease grant OpenAIRE to access and update your ORCID works.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.This Research product is the result of merged Research products in OpenAIRE.
You have already added works in your ORCID record related to the merged Research product.All Research productsarrow_drop_down <script type="text/javascript"> <!-- document.write('<div id="oa_widget"></div>'); document.write('<script type="text/javascript" src="https://beta.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=10.1021/acs.chemmater.8b03164&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu