Browsing Engineering by Subject "ab initio calculation"

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Ab Initio Modeling of CuGa1−xInxS2, CuGaS2(1−x)Se2x and Ag1−xCuxGaS2 Chalcopyrite Solid Solutions for Photovoltaic Applications

Grechenkov, Jurij; Gopejenko, Aleksejs; Bocharov, Dmitry; Isakoviˇca, Inta; Popov, Anatoli I.; Brik, Mikhail G.; Piskunov, Sergei (Energies, 2023)

Chalcopyrites are ternary semiconductor compounds with successful applications in photovoltaics. Certain chalcopyrites are well researched, yet others remain understudied despite showing promise. In this study, we use ...

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