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Article . 2021
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ZENODO
Article . 2021
License: CC BY
Data sources: Datacite
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Computational Screening for New Generation Photovoltaic Materials

descriptionPublicationkeyboard_double_arrow_right Article , Conference object 30 Jul 2021 English Publisher:Zenodo
Authors: Julia Romanova;

doi: 10.5281/zenodo.6320791 , 10.5281/zenodo.6320792

Computational Screening for New Generation Photovoltaic Materials

Abstract

Abstract The present study is devoted to singlet fission chromophores ��� a rare kind of molecules, which, upon excitation, may double the charge carriers in a solar cell, overcome the Shockley���Queisser limit and boost the development of new generation organic based solar cells. In order to find new potential singlet fission chromophores, we have developed computational screening procedure implementing quantum-chemical approaches, machine learning algorithms and chemometrics methods ...

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Keywords

singlet fission, excited states, semi-empirical, diradical character

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This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
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influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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impulse
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