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  • Energy Research
  • 2016-2025
  • GB
  • AU
  • CD
  • Middlesex University

  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Pullinger, Martin; Few, Jessica; McKenna, Eoghan; Elam, Simon; +2 Authors

    This is a set of aggregated data tables that underly the key figures in the SERL stats report "Smart Energy Research Lab: Energy use in GB domestic buildings 2021" (Volume 1). The report describes domestic gas and electricity energy use in Great Britain in 2021 based on data from the Smart Energy Research Lab (SERL) Observatory, which consists of smart meter and contextual data from approximately 13,000 homes that are broadly representative of the GB population in terms of region and Index of Multiple Deprivation (IMD) quintile. The report shows how residential energy use in GB varies over time (monthly over the year and half-hourly over the course of the day), with occupant characteristics (number of occupants, tenure), property characteristics (age, size, form, and Energy Performance Certificate (EPC)), by type of heating system, presence of solar panels and of electric vehicles, and by weather, region and IMD quintile.

    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ UCL Discoveryarrow_drop_down
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    UCL Discovery
    Dataset . 2022
    License: CC BY
    Data sources: Datacite
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    UCL Discovery
    Dataset . 2022
    License: CC BY
    Data sources: Datacite
    B2FIND
    Dataset . 2022
    Data sources: B2FIND
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      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ UCL Discoveryarrow_drop_down
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      UCL Discovery
      Dataset . 2022
      License: CC BY
      Data sources: Datacite
      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
      UCL Discovery
      Dataset . 2022
      License: CC BY
      Data sources: Datacite
      B2FIND
      Dataset . 2022
      Data sources: B2FIND
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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Salman Siddiqui; Mark Barrett; John Macadam;

    The decarbonisation of heating in the United Kingdom is likely to entail both the mass adoption of heat pumps and widespread development of district heating infrastructure. Estimation of the spatially disaggregated heat demand is needed for both electrical distribution network with electrified heating and for the development of district heating. The temporal variation of heat demand is important when considering the operation of district heating, thermal energy storage and electrical grid storage. The difference between the national and urban heat demands profiles will vary due to the type and occupancy of buildings leading to temporal variations which have not been widely surveyed. This paper develops a high-resolution spatiotemporal heat load model for Great Britain (GB: England, Scotland a Wales) by identifying the appropriate datasets, archetype segmentation and characterisation for the domestic and nondomestic building stock. This is applied to a thermal model and calibrated on the local scale using gas consumption statistics. The annual GB heat demand was in close agreement with other estimates and the peak demand was 219 GWth. The urban heat demand was found to have a lower peak to trough ratio than the average national demand profile. This will have important implications for the uptake of heating technologies and design of district heating.

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    Energies
    Article . 2021 . Peer-reviewed
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    Energies
    Article . 2021
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      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ Energiesarrow_drop_down
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      Energies
      Article . 2021 . Peer-reviewed
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      Energies
      Article . 2021
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    Authors: V.S. Bethapudi; J. Hack; P. Trogadas; G. Hinds; +3 Authors

    Abstract Techniques for evaluating water management are critical to diagnose the performance of polymer electrolyte membrane fuel cells (PEMFCs). Acoustic emission as a function of polarisation (AEfP) has been recently introduced as a non-invasive, non-destructive method to analyse the water generation and removal inside a PEMFC during polarisation. AEfP was shown to provide unique insight into water management within a conventional PEMFC and correlating it to cell performance. Here, AEfP is used to characterise the performance of fractal PEMFCs by evaluating the hydration conditions inside them. This is achieved by probing the water dynamics inside two different fractal flow-field based PEMFCs, namely 1-way and 2-way fractal PEMFCs, and measuring the corresponding acoustic activity generated from them. AEfP is performed on the fractal PEMFCs under relatively humid (70% RH) and fully humidified (100% RH) reactant relative humidity (RH) conditions. Flooding in the 2-way fractal PEMFC, as opposed to the 1-way fractal PEMFC, is demonstrated under different operating conditions by the relatively higher acoustic activity it generates. Corroborating evidence of flooding in the 2-way fractal flow-field under different conditions is provided by its polarisation curves, impedance tests and galvanostatic (current hold) measurements.

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    Energy Conversion and Management
    Article . 2020 . Peer-reviewed
    License: Elsevier TDM
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      Energy Conversion and Management
      Article . 2020 . Peer-reviewed
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    Authors: Girgibo, Nebiyu; Mäkiranta, Anne; Lü, Xiaoshu; Hiltunen; +1 Authors

    Suvilahti, a suburb of the city of Vaasa in western Finland, was the first area to use seabed sediment heat as the main source of heating for a high number of houses. Moreover, in the same area, a unique land uplift effect is ongoing. The aim of this paper is to solve the challenges and find opportunities caused by global warming by utilizing seabed sediment energy as a renewable heat source. Measurement data of water and air temperature were analyzed, and correlations were established for the sediment temperature data using Statistical Analysis System (SAS) Enterprise Guide 7.1. software. The analysis and provisional forecast based on the autoregression integrated moving average (ARIMA) model revealed that air and water temperatures show incremental increases through time, and that sediment temperature has positive correlations with water temperature with a 2-month lag. Therefore, sediment heat energy is also expected to increase in the future. Factor analysis validations show that the data have a normal cluster and no particular outliers. This study concludes that sediment heat energy can be considered in prominent renewable production, transforming climate change into a useful solution, at least in summertime.

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    CORE
    Article . 2022
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    Energies
    Article . 2022 . Peer-reviewed
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    Article . 2022 . Peer-reviewed
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      Article . 2022 . Peer-reviewed
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  • Authors: Crovetto, A; Xing, Z; Fischer, M; Nielsen, R; +6 Authors

    Cu2BaSnS4 (CBTS) and Cu2SrSnS4 (CSTS) semiconductors have been recently proposed as potential wide band gap photovoltaic absorbers. Although several measurements indicate that they are less affected by band tailing than their parent compound Cu2ZnSnS4, their photovoltaic efficiencies are still low. To identify possible issues, we characterize CBTS and CSTS in parallel by a variety of spectroscopic methods complemented by first-principles calculations. Two main problems are identified in both materials. The first is the existence of deep defect transitions in low-temperature photoluminescence, pointing to a high density of bulk recombination centers. The second is their low electron affinity, which emphasizes the need for an alternative heterojunction partner and electron contact. We also find a tendency for downward band bending at the surface of both materials. In CBTS, this effect is sufficiently large to cause carrier-type inversion, which may enhance carrier separation and mitigate interface recombination. Optical absorption at room temperature is exciton-enhanced in both CBTS and CSTS. Deconvolution of excitonic effects yields band gaps that are about 100 meV higher than previous estimates based on Tauc plots. Although the two investigated materials are remarkably similar in an idealized, defect-free picture, the present work points to CBTS as a more promising absorber than CSTS for tandem photovoltaics.

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  • image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
    Authors: Jacqueline C. Calderón; Passainte Ibrahim; Dorothea Gobbo; Francesco Luigi Gervasio; +1 Authors

    We use enhanced-sampling simulations with an effective collective variable to study the activation of the β2-adrenergic receptor in the presence of ligands with different efficacy. The free-energy profiles are computed for the ligand-free (apo) receptor and binary (apo-receptor + G-protein α-subunit and receptor + ligand) and ternary complexes. The results are not only compatible with available experiments but also allow unprecedented structural insight into the nature of GPCR conformations along the activation pathway and their role in the activation mechanism. In particular, the simulations reveal an unexpected mode of action of partial agonists such as salmeterol and salbutamol that arises already in the binary complex without the G-protein. Specific differences in the polar interactions with residues in TM5, which are required to stabilize an optimal TM6 conformation that facilitates G-protein binding and receptor activation, play a major role in differentiating them from full agonists.

    image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Journal of Chemical ...arrow_drop_down
    image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
    Journal of Chemical Information and Modeling
    Article . 2023 . Peer-reviewed
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      image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Journal of Chemical ...arrow_drop_down
      image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
      Journal of Chemical Information and Modeling
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    Authors: Zhifu Mi; Zhifu Mi; Yi-Ming Wei; Xiao-Chen Yuan; +3 Authors

    Risk management is an effective way to mitigate the adverse consequences of extreme events, and plays an important role in climate change adaptation. On the basis of the literature, this paper presents a conceptual framework for managing the risk of extreme events under climate change, and accordingly summarizes the recent developments with a focus on several key topics. In terms of risk determinants, the impacts of climate variability on the frequency of extreme events are addressed, and the various meanings and measurements of specific vulnerability are compared. As for the process of risk management, the dynamic assessment approach regarding future climate condition is emphasized. Besides, in view of decision making the available means to enhance the effectiveness of adaptation and mitigation strategies are highlighted. Finally, uncertainty is discussed with respect to its sources and solution.

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    image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
    Journal of Cleaner Production
    Article . 2017 . Peer-reviewed
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      image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
      Journal of Cleaner Production
      Article . 2017 . Peer-reviewed
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    Authors: Jing Meng; Zongyong Zhang; Zongyong Zhang; Yuli Shan; +6 Authors

    China is confronted with an unprecedented water crisis regarding its quantity and quality. In this study, we quantified the dynamics of China?s embodied water use and chemical oxygen demand (COD) discharge from 2010 to 2015. The analysis was conducted with the latest available water use data across sectors in primary, secondary and tertiary industries and input?output models. The results showed that (1) China?s water crisis was alleviated under urbanisation. Urban consumption occupied the largest percentages (over 30%) of embodied water use and COD discharge, but embodied water intensities in urban consumption were far lower than those in rural consumption. (2) The ?new normal? phase witnessed the optimisation of China?s water use structures. Embodied water use in light-manufacturing and tertiary sectors increased while those in heavy-manufacturing sectors (except chemicals and transport equipment) dropped. (3) Transformation of China?s international market brought positive effects on its domestic water use. China?s water use (116?80 billion tonnes (Bts))(9) and COD discharge (3.95?2.22 million tonnes (Mts)) embodied in export tremendously decreased while its total export values (11?25 trillion CNY) soared. Furthermore, embodied water use and COD discharge in relatively low-end sectors, such as textile, started to transfer from international to domestic markets when a part of China?s production activities had been relocated to other developing countries.

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    Environmental Research Letters
    Article . 2019 . Peer-reviewed
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    Environmental Research Letters
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    Environmental Research Letters
    Article . 2019
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      Environmental Research Letters
      Article . 2019 . Peer-reviewed
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      Environmental Research Letters
      Article . 2019
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    Authors: Melike E. Bildirici; Memet Salman; Özgür Ömer Ersin;

    The fluctuations in oil have strong implications on many financial assets not to mention its relationship with gold prices, exchange rates, stock markets, and investor sentiment. Recent evidence suggests nonlinear contagion among the factors stated above with bivariate or trivariate settings and a throughout investigation of contagion and causality links by taking especially nonlinearity into consideration deserves special importance for the relevant literature. For this purpose, the paper explores the Markov switching generalized autoregressive conditional heteroskedasticity copula (MS-GARCH—copula) and MS-GARCH-copula-causality method and its statistical properties. The methods incorporate regime switching and causality analyses in addition to modeling nonlinearity in conditional volatility. For a sample covering daily observations for 4 January 2000–13 March 2020, the empirical findings revealed that: i. the incorporation of MS type nonlinearity to copula analysis provides important information, ii. the new method helps in the determination of regime-dependent tail dependence among oil, VIX, gold, exchange rates, and BIST stock market returns, in addition to determining the direction of causality in those regimes, iii. important policy implications are derived with the proposed methods given the distinction between high and low volatility regimes leads to different solutions on the direction of causality.

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    Mathematics
    Article . 2022 . Peer-reviewed
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    Mathematics
    Article . 2022
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    Authors: Spencer, T; Pierfederici, R; Sartor, O; Berghmans, N; +14 Authors

    Decarbonisation of energy systems requires deep structural change. The purpose of this research was to analyse the rates of change taking place in the energy systems of each Member State of the European Union (EU), and the EU in aggregate, in the light of the EU's climate change mitigation objectives. Trends on indicators such as sectoral activity levels and composition, energy intensity, and carbon intensity of energy were compared with decadal benchmarks derived from deep decarbonisation scenarios. The methodology applied provides a useful and informative approach to tracking decarbonisation of energy systems. The results show that while the EU has made significant progress in decarbonising its energy system. On a number of indicators assessed the results show that a significant acceleration from historical levels is required in order to reach the rates of change seen on the future benchmarks for deep decarbonisation. The methodology applied provides an example of how the research community and international organisations could complement the transparency mechanism developed by the Paris Agreement on climate change, to improve understanding of progress toward low-carbon energy systems.

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    Energy Policy
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    image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
    Energy Policy
    Article . 2017 . Peer-reviewed
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      image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
      Energy Policy
      Article . 2017 . Peer-reviewed
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    Authors: Pullinger, Martin; Few, Jessica; McKenna, Eoghan; Elam, Simon; +2 Authors

    This is a set of aggregated data tables that underly the key figures in the SERL stats report "Smart Energy Research Lab: Energy use in GB domestic buildings 2021" (Volume 1). The report describes domestic gas and electricity energy use in Great Britain in 2021 based on data from the Smart Energy Research Lab (SERL) Observatory, which consists of smart meter and contextual data from approximately 13,000 homes that are broadly representative of the GB population in terms of region and Index of Multiple Deprivation (IMD) quintile. The report shows how residential energy use in GB varies over time (monthly over the year and half-hourly over the course of the day), with occupant characteristics (number of occupants, tenure), property characteristics (age, size, form, and Energy Performance Certificate (EPC)), by type of heating system, presence of solar panels and of electric vehicles, and by weather, region and IMD quintile.

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    UCL Discovery
    Dataset . 2022
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    UCL Discovery
    Dataset . 2022
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    B2FIND
    Dataset . 2022
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      UCL Discovery
      Dataset . 2022
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      Dataset . 2022
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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Salman Siddiqui; Mark Barrett; John Macadam;

    The decarbonisation of heating in the United Kingdom is likely to entail both the mass adoption of heat pumps and widespread development of district heating infrastructure. Estimation of the spatially disaggregated heat demand is needed for both electrical distribution network with electrified heating and for the development of district heating. The temporal variation of heat demand is important when considering the operation of district heating, thermal energy storage and electrical grid storage. The difference between the national and urban heat demands profiles will vary due to the type and occupancy of buildings leading to temporal variations which have not been widely surveyed. This paper develops a high-resolution spatiotemporal heat load model for Great Britain (GB: England, Scotland a Wales) by identifying the appropriate datasets, archetype segmentation and characterisation for the domestic and nondomestic building stock. This is applied to a thermal model and calibrated on the local scale using gas consumption statistics. The annual GB heat demand was in close agreement with other estimates and the peak demand was 219 GWth. The urban heat demand was found to have a lower peak to trough ratio than the average national demand profile. This will have important implications for the uptake of heating technologies and design of district heating.

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    Energies
    Article . 2021 . Peer-reviewed
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    Authors: V.S. Bethapudi; J. Hack; P. Trogadas; G. Hinds; +3 Authors

    Abstract Techniques for evaluating water management are critical to diagnose the performance of polymer electrolyte membrane fuel cells (PEMFCs). Acoustic emission as a function of polarisation (AEfP) has been recently introduced as a non-invasive, non-destructive method to analyse the water generation and removal inside a PEMFC during polarisation. AEfP was shown to provide unique insight into water management within a conventional PEMFC and correlating it to cell performance. Here, AEfP is used to characterise the performance of fractal PEMFCs by evaluating the hydration conditions inside them. This is achieved by probing the water dynamics inside two different fractal flow-field based PEMFCs, namely 1-way and 2-way fractal PEMFCs, and measuring the corresponding acoustic activity generated from them. AEfP is performed on the fractal PEMFCs under relatively humid (70% RH) and fully humidified (100% RH) reactant relative humidity (RH) conditions. Flooding in the 2-way fractal PEMFC, as opposed to the 1-way fractal PEMFC, is demonstrated under different operating conditions by the relatively higher acoustic activity it generates. Corroborating evidence of flooding in the 2-way fractal flow-field under different conditions is provided by its polarisation curves, impedance tests and galvanostatic (current hold) measurements.

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    Energy Conversion and Management
    Article . 2020 . Peer-reviewed
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      Energy Conversion and Management
      Article . 2020 . Peer-reviewed
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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Girgibo, Nebiyu; Mäkiranta, Anne; Lü, Xiaoshu; Hiltunen; +1 Authors

    Suvilahti, a suburb of the city of Vaasa in western Finland, was the first area to use seabed sediment heat as the main source of heating for a high number of houses. Moreover, in the same area, a unique land uplift effect is ongoing. The aim of this paper is to solve the challenges and find opportunities caused by global warming by utilizing seabed sediment energy as a renewable heat source. Measurement data of water and air temperature were analyzed, and correlations were established for the sediment temperature data using Statistical Analysis System (SAS) Enterprise Guide 7.1. software. The analysis and provisional forecast based on the autoregression integrated moving average (ARIMA) model revealed that air and water temperatures show incremental increases through time, and that sediment temperature has positive correlations with water temperature with a 2-month lag. Therefore, sediment heat energy is also expected to increase in the future. Factor analysis validations show that the data have a normal cluster and no particular outliers. This study concludes that sediment heat energy can be considered in prominent renewable production, transforming climate change into a useful solution, at least in summertime.

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  • Authors: Crovetto, A; Xing, Z; Fischer, M; Nielsen, R; +6 Authors

    Cu2BaSnS4 (CBTS) and Cu2SrSnS4 (CSTS) semiconductors have been recently proposed as potential wide band gap photovoltaic absorbers. Although several measurements indicate that they are less affected by band tailing than their parent compound Cu2ZnSnS4, their photovoltaic efficiencies are still low. To identify possible issues, we characterize CBTS and CSTS in parallel by a variety of spectroscopic methods complemented by first-principles calculations. Two main problems are identified in both materials. The first is the existence of deep defect transitions in low-temperature photoluminescence, pointing to a high density of bulk recombination centers. The second is their low electron affinity, which emphasizes the need for an alternative heterojunction partner and electron contact. We also find a tendency for downward band bending at the surface of both materials. In CBTS, this effect is sufficiently large to cause carrier-type inversion, which may enhance carrier separation and mitigate interface recombination. Optical absorption at room temperature is exciton-enhanced in both CBTS and CSTS. Deconvolution of excitonic effects yields band gaps that are about 100 meV higher than previous estimates based on Tauc plots. Although the two investigated materials are remarkably similar in an idealized, defect-free picture, the present work points to CBTS as a more promising absorber than CSTS for tandem photovoltaics.

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  • image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
    Authors: Jacqueline C. Calderón; Passainte Ibrahim; Dorothea Gobbo; Francesco Luigi Gervasio; +1 Authors

    We use enhanced-sampling simulations with an effective collective variable to study the activation of the β2-adrenergic receptor in the presence of ligands with different efficacy. The free-energy profiles are computed for the ligand-free (apo) receptor and binary (apo-receptor + G-protein α-subunit and receptor + ligand) and ternary complexes. The results are not only compatible with available experiments but also allow unprecedented structural insight into the nature of GPCR conformations along the activation pathway and their role in the activation mechanism. In particular, the simulations reveal an unexpected mode of action of partial agonists such as salmeterol and salbutamol that arises already in the binary complex without the G-protein. Specific differences in the polar interactions with residues in TM5, which are required to stabilize an optimal TM6 conformation that facilitates G-protein binding and receptor activation, play a major role in differentiating them from full agonists.

    image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Journal of Chemical ...arrow_drop_down
    image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
    Journal of Chemical Information and Modeling
    Article . 2023 . Peer-reviewed
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      image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Journal of Chemical ...arrow_drop_down
      image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
      Journal of Chemical Information and Modeling
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    Authors: Zhifu Mi; Zhifu Mi; Yi-Ming Wei; Xiao-Chen Yuan; +3 Authors

    Risk management is an effective way to mitigate the adverse consequences of extreme events, and plays an important role in climate change adaptation. On the basis of the literature, this paper presents a conceptual framework for managing the risk of extreme events under climate change, and accordingly summarizes the recent developments with a focus on several key topics. In terms of risk determinants, the impacts of climate variability on the frequency of extreme events are addressed, and the various meanings and measurements of specific vulnerability are compared. As for the process of risk management, the dynamic assessment approach regarding future climate condition is emphasized. Besides, in view of decision making the available means to enhance the effectiveness of adaptation and mitigation strategies are highlighted. Finally, uncertainty is discussed with respect to its sources and solution.

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    image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
    Journal of Cleaner Production
    Article . 2017 . Peer-reviewed
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      image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
      Journal of Cleaner Production
      Article . 2017 . Peer-reviewed
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    Authors: Jing Meng; Zongyong Zhang; Zongyong Zhang; Yuli Shan; +6 Authors

    China is confronted with an unprecedented water crisis regarding its quantity and quality. In this study, we quantified the dynamics of China?s embodied water use and chemical oxygen demand (COD) discharge from 2010 to 2015. The analysis was conducted with the latest available water use data across sectors in primary, secondary and tertiary industries and input?output models. The results showed that (1) China?s water crisis was alleviated under urbanisation. Urban consumption occupied the largest percentages (over 30%) of embodied water use and COD discharge, but embodied water intensities in urban consumption were far lower than those in rural consumption. (2) The ?new normal? phase witnessed the optimisation of China?s water use structures. Embodied water use in light-manufacturing and tertiary sectors increased while those in heavy-manufacturing sectors (except chemicals and transport equipment) dropped. (3) Transformation of China?s international market brought positive effects on its domestic water use. China?s water use (116?80 billion tonnes (Bts))(9) and COD discharge (3.95?2.22 million tonnes (Mts)) embodied in export tremendously decreased while its total export values (11?25 trillion CNY) soared. Furthermore, embodied water use and COD discharge in relatively low-end sectors, such as textile, started to transfer from international to domestic markets when a part of China?s production activities had been relocated to other developing countries.

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    Environmental Research Letters
    Article . 2019 . Peer-reviewed
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    Environmental Research Letters
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    Environmental Research Letters
    Article . 2019
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      Environmental Research Letters
      Article . 2019 . Peer-reviewed
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      Environmental Research Letters
      Article . 2019
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    Authors: Melike E. Bildirici; Memet Salman; Özgür Ömer Ersin;

    The fluctuations in oil have strong implications on many financial assets not to mention its relationship with gold prices, exchange rates, stock markets, and investor sentiment. Recent evidence suggests nonlinear contagion among the factors stated above with bivariate or trivariate settings and a throughout investigation of contagion and causality links by taking especially nonlinearity into consideration deserves special importance for the relevant literature. For this purpose, the paper explores the Markov switching generalized autoregressive conditional heteroskedasticity copula (MS-GARCH—copula) and MS-GARCH-copula-causality method and its statistical properties. The methods incorporate regime switching and causality analyses in addition to modeling nonlinearity in conditional volatility. For a sample covering daily observations for 4 January 2000–13 March 2020, the empirical findings revealed that: i. the incorporation of MS type nonlinearity to copula analysis provides important information, ii. the new method helps in the determination of regime-dependent tail dependence among oil, VIX, gold, exchange rates, and BIST stock market returns, in addition to determining the direction of causality in those regimes, iii. important policy implications are derived with the proposed methods given the distinction between high and low volatility regimes leads to different solutions on the direction of causality.

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    Mathematics
    Article . 2022 . Peer-reviewed
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    Mathematics
    Article . 2022
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    Authors: Spencer, T; Pierfederici, R; Sartor, O; Berghmans, N; +14 Authors

    Decarbonisation of energy systems requires deep structural change. The purpose of this research was to analyse the rates of change taking place in the energy systems of each Member State of the European Union (EU), and the EU in aggregate, in the light of the EU's climate change mitigation objectives. Trends on indicators such as sectoral activity levels and composition, energy intensity, and carbon intensity of energy were compared with decadal benchmarks derived from deep decarbonisation scenarios. The methodology applied provides a useful and informative approach to tracking decarbonisation of energy systems. The results show that while the EU has made significant progress in decarbonising its energy system. On a number of indicators assessed the results show that a significant acceleration from historical levels is required in order to reach the rates of change seen on the future benchmarks for deep decarbonisation. The methodology applied provides an example of how the research community and international organisations could complement the transparency mechanism developed by the Paris Agreement on climate change, to improve understanding of progress toward low-carbon energy systems.

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    Energy Policy
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    image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
    Energy Policy
    Article . 2017 . Peer-reviewed
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      image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
      Energy Policy
      Article . 2017 . Peer-reviewed
      License: Elsevier TDM
      Data sources: Crossref
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