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Published July 2016 | Published
Journal Article Open

Computer calculations across time and length scales in photovoltaic solar cells

Abstract

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.

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.

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August 20, 2023
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