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Computer calculations across time and length scales in photovoltaic solar cells

Bernardi, Marco and Grossman, Jeffrey C. (2016) Computer calculations across time and length scales in photovoltaic solar cells. Energy and Environmental Science, 9 (7). pp. 2197-2218. ISSN 1754-5692. doi:10.1039/C6EE01010E.

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Photovoltaic (PV) solar cells convert solar energy to electricity through a cascade of microscopic processes spanning over 10 order of magnitudes of time and length. PV conversion involves a complex interplay of photons, charge carriers, and excited states. Processes following light absorption include generation of charge carriers or excitons, exciton dissociation over nanometer lengths and subpicosecond times, and carrier transport over ns–ms times and nm–mm lengths. Computer calculations have become an indispensable tool to understand and engineer solar cells across length and time scales. In this article, we examine the microscopic processes underlying PV conversion and review state-of-the-art computational methods to study PV solar cells. Recent developments and future research challenges are outlined.

Item Type:Article
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URLURL TypeDescription
Bernardi, Marco0000-0001-7289-9666
Grossman, Jeffrey C.0000-0003-1281-2359
Additional Information:© 2016 The Royal Society of Chemistry. Received 06 Apr 2016, Accepted 05 May 2016, First published online 05 May 2016. MB thanks the California Institute of Technology for start-up funds and NERSC for computational resources. MB acknowledges partial support from the Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, as follows: the development of part of this review article was supported through the Office of Science of the U.S. Department of Energy under Award No. DE-SC0004993. JCG is grateful for support from the Eni Solar Frontiers Program at MIT.
Funding AgencyGrant Number
Department of Energy (DOE)DE-SC0004993
Massachusetts Institute of Technology (MIT)UNSPECIFIED
Joint Center for Artificial Photosynthesis (JCAP)UNSPECIFIED
Issue or Number:7
Record Number:CaltechAUTHORS:20160629-122500821
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Official Citation:Computer calculations across time and length scales in photovoltaic solar cells Marco Bernardi and Jeffrey C. Grossman Energy Environ. Sci., 2016, 9, 2197-2218 DOI: 10.1039/C6EE01010E
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:68751
Deposited By: Donna Wrublewski
Deposited On:29 Jun 2016 22:08
Last Modified:11 Nov 2021 04:04

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