Coupled Process/Device Modeling and Point Defect Engineering of Cu(In,Ga)Se2 Solar Cells

Xiang, Xiaofeng; Sommer, David E.; Gehrke, Aaron; Dunham, Scott T.

doi:10.1109/jphotov.2024.3366652

Title: Coupled Process/Device Modeling and Point Defect Engineering of Cu(In,Ga)Se₂ Solar Cells

Journal Article · 05 March 2024 · IEEE Journal of Photovoltaics

DOI: https://doi.org/10.1109/jphotov.2024.3366652 · OSTI ID:2432513

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University of Washington, Seattle, WA (United States); UW
University of Washington, Seattle, WA (United States)

Point defects directly impact solar cell device performance by limiting the carrier lifetime. In this work, density functional theory calculations are first used to determine the formation energy and diffusion energy barriers of dominant defects in Cu(In,Ga)Se₂. Next, continuum reaction–diffusion models are developed to analyze the redistribution of defects during manufacturing processes. We estimate defect capture cross sections using a first-principles-based approach. Here, these cross sections are combined with our calculated defect profiles and trap energy levels to parameterize a Shockley–Read–Hall recombination model, which we implement into a device simulator to predict carrier lifetimes and device performance. In that way, a predictive technology computer aided design model is built to predict and optimize the performance of Cu(In,Ga)Se₂ solar cells.

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Research Organization:: University of Washington, Seattle, WA (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office

Grant/Contract Number:: EE0008556

OSTI ID:: 2432513

Journal Information:: IEEE Journal of Photovoltaics, Journal Name: IEEE Journal of Photovoltaics Journal Issue: 3 Vol. 14; ISSN 2156-3381

Publisher:: IEEECopyright Statement

Country of Publication:: United States

Language:: English

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Title: Coupled Process/Device Modeling and Point Defect Engineering of Cu(In,Ga)Se₂ Solar Cells