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description Publicationkeyboard_double_arrow_right Article , Journal 2019Publisher:Royal Society of Chemistry (RSC) Kumar, Priyank V.; Rossi, Tuomas P.; Kuisma, Mikael; Erhart, Paul; Norris; David, J.;doi: 10.1039/c8fd00154e
pmid: 30855061
An ab initio computational study of direct hot-carrier transfer at metal–molecule interfaces with relevance to plasmonic catalysis.
Faraday Discussions arrow_drop_down Faraday DiscussionsArticle . 2019 . 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/c8fd00154e&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu45 citations 45 popularity Top 10% influence Top 10% impulse Top 10% Powered by BIP!
more_vert Faraday Discussions arrow_drop_down Faraday DiscussionsArticle . 2019 . 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/c8fd00154e&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euResearch data keyboard_double_arrow_right Dataset 2021Publisher:Zenodo Funded by:AKA | Plasmonic nanocatalysts f..., AKA | Towards Nanoscale Organic...AKA| Plasmonic nanocatalysts for a sustainable future (PLASMOCAT) ,AKA| Towards Nanoscale Organic Photovoltaics: Tuning the Hot-electron Transfer and Charge-separation in Functionalized Plasmonic NanoparticlesFojt, Jakub; Rossi, Tuomas P; Antosiewicz, Tomasz J; Kuisma, Mikael; Erhart, Paul;The data includes the optical excitations of benzene, the optical spectra of coupled benzene-Al NP systems, and fits of the spectra to the coupled oscillator model. The optical spectra in question have been obtained in the dipolar coupling approximation and analyzed in the article "Dipolar coupling of nanoparticle-molecule assemblies: An efficient approach for studying strong coupling" by Jakub Fojt, Tuomas P. Rossi, Tomasz J. Antosiewicz, Mikael Kuisma and Paul Erhart. Scripts for processing of the data, which extract optical spectra from NWChem output files, and fit optical spectra to the coupled oscillator model, are also included. The scripts are written in Python and require the packages NumPy, emcee, and h5py to be installed. See README.md in the archive for a detailed description.
ZENODO arrow_drop_down Smithsonian figshareDataset . 2021License: CC BYData 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=10.5281/zenodo.4095510&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu1 citations 1 popularity Average influence Average impulse Average Powered by BIP!
more_vert ZENODO arrow_drop_down Smithsonian figshareDataset . 2021License: CC BYData 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=10.5281/zenodo.4095510&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article , Preprint , Journal , Other literature type 2021Embargo end date: 01 Jan 2021 FinlandPublisher:AIP Publishing Funded by:AKA | Towards Nanoscale Organic..., AKA | Plasmonic nanocatalysts f...AKA| Towards Nanoscale Organic Photovoltaics: Tuning the Hot-electron Transfer and Charge-separation in Functionalized Plasmonic Nanoparticles ,AKA| Plasmonic nanocatalysts for a sustainable future (PLASMOCAT)Fojt, Jakub; Rossi, Tuomas P.; Antosiewicz, Tomasz J.; Kuisma, Mikael; Erhart; Paul;Strong light–matter interactions facilitate not only emerging applications in quantum and non-linear optics but also modifications of properties of materials. In particular, the latter possibility has spurred the development of advanced theoretical techniques that can accurately capture both quantum optical and quantum chemical degrees of freedom. These methods are, however, computationally very demanding, which limits their application range. Here, we demonstrate that the optical spectra of nanoparticle-molecule assemblies, including strong coupling effects, can be predicted with good accuracy using a subsystem approach, in which the response functions of different units are coupled only at the dipolar level. We demonstrate this approach by comparison with previous time-dependent density functional theory calculations for fully coupled systems of Al nanoparticles and benzene molecules. While the present study only considers few-particle systems, the approach can be readily extended to much larger systems and to include explicit optical-cavity modes.
The Journal of Chemi... arrow_drop_down Jyväskylä University Digital ArchiveArticle . 2021 . Peer-reviewedData sources: Jyväskylä University Digital ArchiveAaltodoc Publication ArchiveArticle . 2021 . Peer-reviewedData sources: Aaltodoc Publication Archivehttps://dx.doi.org/10.48550/ar...Article . 2021License: 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=10.1063/5.0037853&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euAccess RoutesGreen hybrid 14 citations 14 popularity Top 10% influence Average impulse Top 10% Powered by BIP!
more_vert The Journal of Chemi... arrow_drop_down Jyväskylä University Digital ArchiveArticle . 2021 . Peer-reviewedData sources: Jyväskylä University Digital ArchiveAaltodoc Publication ArchiveArticle . 2021 . Peer-reviewedData sources: Aaltodoc Publication Archivehttps://dx.doi.org/10.48550/ar...Article . 2021License: 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=10.1063/5.0037853&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euintegration_instructions Research softwarekeyboard_double_arrow_right Software 2020Publisher:Zenodo Funded by:AKA | Towards Nanoscale Organic..., EC | RealNanoPlasmonAKA| Towards Nanoscale Organic Photovoltaics: Tuning the Hot-electron Transfer and Charge-separation in Functionalized Plasmonic Nanoparticles ,EC| RealNanoPlasmonAuthors: Rossi, Tuomas; Erhart, Paul; Kuisma, Mikael;This upload includes the codes and input scripts for reproducing the analysis presented in the article "Hot-Carrier Generation in Plasmonic Nanoparticles: The Importance of Atomic Structure" by Tuomas P. Rossi, Paul Erhart, and Mikael Kuisma. The codes reproduce the data of the article provided at doi:10.5281/zenodo.3927527. See README.md in the upload for a detailed description.
ZENODO arrow_drop_down 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=10.5281/zenodo.3964229&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu0 citations 0 popularity Average influence Average impulse Average Powered by BIP!
visibility 89visibility views 89 download downloads 25 Powered bymore_vert ZENODO arrow_drop_down 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=10.5281/zenodo.3964229&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article , Journal 2016Publisher:Wiley Funded by:EC | ATMODALLOYEC| ATMODALLOYMikael Kuisma; Angelica Lundin; Kasper Moth‐Poulsen; Per Hyldgaard; Paul Erhart;pmid: 27254282
AbstractInvited for this Issue′s Cover are the groups of Moth‐Poulsen, Hyldgaard, and Erhart at Chalmers University of Technology. They investigated possible candidates for molecular solar thermal storage using quantum mechanical calculations and identified general guiding principles for the design of such compounds. The Full Paper itself is available at 10.1002/cssc.201600281.
ChemSusChem arrow_drop_down ChemSusChemArticle . 2016 . Peer-reviewedLicense: Wiley Online Library User AgreementData sources: CrossrefChemSusChemArticle . 2016 . Peer-reviewedLicense: Wiley Online Library User AgreementData 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=10.1002/cssc.201600882&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euAccess Routesbronze 41 citations 41 popularity Top 10% influence Top 10% impulse Top 10% Powered by BIP!
more_vert ChemSusChem arrow_drop_down ChemSusChemArticle . 2016 . Peer-reviewedLicense: Wiley Online Library User AgreementData sources: CrossrefChemSusChemArticle . 2016 . Peer-reviewedLicense: Wiley Online Library User AgreementData 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=10.1002/cssc.201600882&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euResearch data keyboard_double_arrow_right Dataset 2020Publisher:Zenodo Funded by:AKA | Towards Nanoscale Organic..., EC | RealNanoPlasmonAKA| Towards Nanoscale Organic Photovoltaics: Tuning the Hot-electron Transfer and Charge-separation in Functionalized Plasmonic Nanoparticles ,EC| RealNanoPlasmonAuthors: Rossi, Tuomas; Erhart, Paul; Kuisma, Mikael;This upload includes the data presented and analyzed in the article "Hot-Carrier Generation in Plasmonic Nanoparticles: The Importance of Atomic Structure" by Tuomas P. Rossi, Paul Erhart, and Mikael Kuisma. The codes for reproducing the data are provided at doi:10.5281/zenodo.3964229. See README.md in data.zip for a detailed description.
ZENODO arrow_drop_down Smithsonian figshareDataset . 2020License: CC BY SAData 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=10.5281/zenodo.3927526&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu0 citations 0 popularity Average influence Average impulse Average Powered by BIP!
more_vert ZENODO arrow_drop_down Smithsonian figshareDataset . 2020License: CC BY SAData 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=10.5281/zenodo.3927526&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu
description Publicationkeyboard_double_arrow_right Article , Journal 2019Publisher:Royal Society of Chemistry (RSC) Kumar, Priyank V.; Rossi, Tuomas P.; Kuisma, Mikael; Erhart, Paul; Norris; David, J.;doi: 10.1039/c8fd00154e
pmid: 30855061
An ab initio computational study of direct hot-carrier transfer at metal–molecule interfaces with relevance to plasmonic catalysis.
Faraday Discussions arrow_drop_down Faraday DiscussionsArticle . 2019 . 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/c8fd00154e&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu45 citations 45 popularity Top 10% influence Top 10% impulse Top 10% Powered by BIP!
more_vert Faraday Discussions arrow_drop_down Faraday DiscussionsArticle . 2019 . 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/c8fd00154e&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euResearch data keyboard_double_arrow_right Dataset 2021Publisher:Zenodo Funded by:AKA | Plasmonic nanocatalysts f..., AKA | Towards Nanoscale Organic...AKA| Plasmonic nanocatalysts for a sustainable future (PLASMOCAT) ,AKA| Towards Nanoscale Organic Photovoltaics: Tuning the Hot-electron Transfer and Charge-separation in Functionalized Plasmonic NanoparticlesFojt, Jakub; Rossi, Tuomas P; Antosiewicz, Tomasz J; Kuisma, Mikael; Erhart, Paul;The data includes the optical excitations of benzene, the optical spectra of coupled benzene-Al NP systems, and fits of the spectra to the coupled oscillator model. The optical spectra in question have been obtained in the dipolar coupling approximation and analyzed in the article "Dipolar coupling of nanoparticle-molecule assemblies: An efficient approach for studying strong coupling" by Jakub Fojt, Tuomas P. Rossi, Tomasz J. Antosiewicz, Mikael Kuisma and Paul Erhart. Scripts for processing of the data, which extract optical spectra from NWChem output files, and fit optical spectra to the coupled oscillator model, are also included. The scripts are written in Python and require the packages NumPy, emcee, and h5py to be installed. See README.md in the archive for a detailed description.
ZENODO arrow_drop_down Smithsonian figshareDataset . 2021License: CC BYData 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=10.5281/zenodo.4095510&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu1 citations 1 popularity Average influence Average impulse Average Powered by BIP!
more_vert ZENODO arrow_drop_down Smithsonian figshareDataset . 2021License: CC BYData 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=10.5281/zenodo.4095510&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article , Preprint , Journal , Other literature type 2021Embargo end date: 01 Jan 2021 FinlandPublisher:AIP Publishing Funded by:AKA | Towards Nanoscale Organic..., AKA | Plasmonic nanocatalysts f...AKA| Towards Nanoscale Organic Photovoltaics: Tuning the Hot-electron Transfer and Charge-separation in Functionalized Plasmonic Nanoparticles ,AKA| Plasmonic nanocatalysts for a sustainable future (PLASMOCAT)Fojt, Jakub; Rossi, Tuomas P.; Antosiewicz, Tomasz J.; Kuisma, Mikael; Erhart; Paul;Strong light–matter interactions facilitate not only emerging applications in quantum and non-linear optics but also modifications of properties of materials. In particular, the latter possibility has spurred the development of advanced theoretical techniques that can accurately capture both quantum optical and quantum chemical degrees of freedom. These methods are, however, computationally very demanding, which limits their application range. Here, we demonstrate that the optical spectra of nanoparticle-molecule assemblies, including strong coupling effects, can be predicted with good accuracy using a subsystem approach, in which the response functions of different units are coupled only at the dipolar level. We demonstrate this approach by comparison with previous time-dependent density functional theory calculations for fully coupled systems of Al nanoparticles and benzene molecules. While the present study only considers few-particle systems, the approach can be readily extended to much larger systems and to include explicit optical-cavity modes.
The Journal of Chemi... arrow_drop_down Jyväskylä University Digital ArchiveArticle . 2021 . Peer-reviewedData sources: Jyväskylä University Digital ArchiveAaltodoc Publication ArchiveArticle . 2021 . Peer-reviewedData sources: Aaltodoc Publication Archivehttps://dx.doi.org/10.48550/ar...Article . 2021License: 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=10.1063/5.0037853&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euAccess RoutesGreen hybrid 14 citations 14 popularity Top 10% influence Average impulse Top 10% Powered by BIP!
more_vert The Journal of Chemi... arrow_drop_down Jyväskylä University Digital ArchiveArticle . 2021 . Peer-reviewedData sources: Jyväskylä University Digital ArchiveAaltodoc Publication ArchiveArticle . 2021 . Peer-reviewedData sources: Aaltodoc Publication Archivehttps://dx.doi.org/10.48550/ar...Article . 2021License: 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=10.1063/5.0037853&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euintegration_instructions Research softwarekeyboard_double_arrow_right Software 2020Publisher:Zenodo Funded by:AKA | Towards Nanoscale Organic..., EC | RealNanoPlasmonAKA| Towards Nanoscale Organic Photovoltaics: Tuning the Hot-electron Transfer and Charge-separation in Functionalized Plasmonic Nanoparticles ,EC| RealNanoPlasmonAuthors: Rossi, Tuomas; Erhart, Paul; Kuisma, Mikael;This upload includes the codes and input scripts for reproducing the analysis presented in the article "Hot-Carrier Generation in Plasmonic Nanoparticles: The Importance of Atomic Structure" by Tuomas P. Rossi, Paul Erhart, and Mikael Kuisma. The codes reproduce the data of the article provided at doi:10.5281/zenodo.3927527. See README.md in the upload for a detailed description.
ZENODO arrow_drop_down 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=10.5281/zenodo.3964229&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eu0 citations 0 popularity Average influence Average impulse Average Powered by BIP!
visibility 89visibility views 89 download downloads 25 Powered bymore_vert ZENODO arrow_drop_down 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=10.5281/zenodo.3964229&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.eudescription Publicationkeyboard_double_arrow_right Article , Journal 2016Publisher:Wiley Funded by:EC | ATMODALLOYEC| ATMODALLOYMikael Kuisma; Angelica Lundin; Kasper Moth‐Poulsen; Per Hyldgaard; Paul Erhart;pmid: 27254282
AbstractInvited for this Issue′s Cover are the groups of Moth‐Poulsen, Hyldgaard, and Erhart at Chalmers University of Technology. They investigated possible candidates for molecular solar thermal storage using quantum mechanical calculations and identified general guiding principles for the design of such compounds. The Full Paper itself is available at 10.1002/cssc.201600281.
ChemSusChem arrow_drop_down ChemSusChemArticle . 2016 . Peer-reviewedLicense: Wiley Online Library User AgreementData sources: CrossrefChemSusChemArticle . 2016 . Peer-reviewedLicense: Wiley Online Library User AgreementData 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=10.1002/cssc.201600882&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euAccess Routesbronze 41 citations 41 popularity Top 10% influence Top 10% impulse Top 10% Powered by BIP!
more_vert ChemSusChem arrow_drop_down ChemSusChemArticle . 2016 . Peer-reviewedLicense: Wiley Online Library User AgreementData sources: CrossrefChemSusChemArticle . 2016 . Peer-reviewedLicense: Wiley Online Library User AgreementData 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=10.1002/cssc.201600882&type=result"></script>'); --> </script>
For further information contact us at helpdesk@openaire.euResearch data keyboard_double_arrow_right Dataset 2020Publisher:Zenodo Funded by:AKA | Towards Nanoscale Organic..., EC | RealNanoPlasmonAKA| Towards Nanoscale Organic Photovoltaics: Tuning the Hot-electron Transfer and Charge-separation in Functionalized Plasmonic Nanoparticles ,EC| RealNanoPlasmonAuthors: Rossi, Tuomas; Erhart, Paul; Kuisma, Mikael;This upload includes the data presented and analyzed in the article "Hot-Carrier Generation in Plasmonic Nanoparticles: The Importance of Atomic Structure" by Tuomas P. Rossi, Paul Erhart, and Mikael Kuisma. The codes for reproducing the data are provided at doi:10.5281/zenodo.3964229. See README.md in data.zip for a detailed description.
ZENODO arrow_drop_down Smithsonian figshareDataset . 2020License: CC BY SAData 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=10.5281/zenodo.3927526&type=result"></script>'); --> </script>
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more_vert ZENODO arrow_drop_down Smithsonian figshareDataset . 2020License: CC BY SAData 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=10.5281/zenodo.3927526&type=result"></script>'); --> </script>
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