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Defect Thermodynamics

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2 results in Keywords: Defect Thermodynamics

Theoretical and Computational Chemistry

Intrinsic point defect tolerance in selenium for indoor and tandem photovoltaics

Seán R. Kavanagh, Rasmus S. Nielsen, John L. Hansen, Rasmus S. Davidsen, Ole Hansen, Alp E. Samli, Peter C. Vesborg, David O. Scanlon, Aron Walsh

Version 2 posted 28 March 2025

793

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Theoretical and Computational Chemistry

Defect diffusion graph neural networks for materials discovery in high-temperature, clean energy applications

Lauren Way, Catalin Spataru, Reese Jones, Dallas Trinkle, Andrew Rowberg, Joel Varley, Robert Wexler, Christopher Smyth, Tyra Douglas, Sean Bishop, Elliot Fuller, Anthony McDaniel, Stephan Lany, Matthew Witman

Version 1 posted 28 August 2024

488

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