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Photovoltaics: Advances in First Principles Modeling – Overview

Bernardi, Marco and Grossman, Jeffrey C. (2018) Photovoltaics: Advances in First Principles Modeling – Overview. In: Handbook of Materials Modeling - Applications: Current and Emerging Materials. Springer , Cham, pp. 1-8. ISBN 978-3-319-50257-1.

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Photovoltaic devices are challenging to model due to their multi-scale physics, which ranges from light absorption to charge carrier generation and transport. This overview chapter outlines recent developments in first-principles modeling of solar cells. Besides the traditional focus on predicting the structure, bandgap, and optical properties of materials, first-principles methods can now also model charge transport and excited carrier dynamics. New materials are breaking the established paradigms of conventional solar cells, leading to exciting discoveries of broad relevance to materials science and physics. We discuss three recent directions in photovoltaics research, including ultrathin solar cells, complex materials, and ultrafast electron dynamics, and outline future challenges. First-principles calculations are playing a key role in pushing these frontiers of photovoltaics research.

Item Type:Book Section
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Bernardi, Marco0000-0001-7289-9666
Grossman, Jeffrey C.0000-0003-1281-2359
Additional Information:© 2018 Springer Nature Switzerland AG. First Online: 17 September 2018.
Record Number:CaltechAUTHORS:20191025-155916732
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:99471
Deposited By: Tony Diaz
Deposited On:25 Oct 2019 23:03
Last Modified:16 Nov 2021 17:46

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