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Upper limit to the photovoltaic efficiency of imperfect crystals from first principles

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Title: Upper limit to the photovoltaic efficiency of imperfect crystals from first principles
Authors: Kim, S
Marquez, JA
Unold, T
Walsh, A
Item Type: Journal Article
Abstract: The Shockley–Queisser (SQ) limit provides a convenient metric for predicting light-to-electricity conversion efficiency of a solar cell based on the band gap of the light-absorbing layer. In reality, few materials approach this radiative limit. We develop a formalism and computational method to predict the maximum photovoltaic efficiency of imperfect crystals from first principles. The trap-limited conversion efficiency includes equilibrium populations of native defects, their carrier-capture coefficients, and the associated recombination rates. When applied to kesterite solar cells, we reveal an intrinsic limit of 20% for Cu2ZnSnSe4, which falls far below the SQ limit of 32%. The effects of atomic substitution and extrinsic doping are studied, leading to pathways for an enhanced efficiency of 31%. This approach can be applied to support targeted-materials selection for future solar-energy technologies.
Issue Date: 1-May-2020
Date of Acceptance: 9-Mar-2020
URI: http://hdl.handle.net/10044/1/84273
DOI: 10.1039/d0ee00291g
ISSN: 1754-5692
Publisher: Royal Society of Chemistry
Start Page: 1481
End Page: 1491
Journal / Book Title: Energy and Environmental Science
Volume: 13
Issue: 5
Copyright Statement: © The Royal Society of Chemistry 2020. This article is licensed under a Creative Commons Attribution 3.0 Unported Licence http://creativecommons.org/licenses/by/3.0/.
Keywords: Science & Technology
Physical Sciences
Technology
Life Sciences & Biomedicine
Chemistry, Multidisciplinary
Energy & Fuels
Engineering, Chemical
Environmental Sciences
Chemistry
Engineering
Environmental Sciences & Ecology
SOLAR-CELL
ENERGY-CONVERSION
CARRIER-CAPTURE
POINT-DEFECTS
RECOMBINATION
Science & Technology
Physical Sciences
Technology
Life Sciences & Biomedicine
Chemistry, Multidisciplinary
Energy & Fuels
Engineering, Chemical
Environmental Sciences
Chemistry
Engineering
Environmental Sciences & Ecology
SOLAR-CELL
ENERGY-CONVERSION
CARRIER-CAPTURE
POINT-DEFECTS
RECOMBINATION
physics.comp-ph
physics.comp-ph
cond-mat.mtrl-sci
Energy
Publication Status: Published
Online Publication Date: 2020-03-09
Appears in Collections:Materials



This item is licensed under a Creative Commons License Creative Commons