The first principles investigation of free‑lead perovskite-type hydrides CsXH3 (X = Sc, Y) for hydrogen storage application

Computational and Theoretical Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 115144 - 115144

Published: Feb. 1, 2025

Language: Английский

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Computational study of hydrostatic pressure effect on MgSiO3 perovskite oxide for photocatalytic water splitting application

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 93, P. 134 - 146

Published: Nov. 2, 2024

Language: Английский

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A first principles insight of non-toxic lead-free inorganic halides KInX3 (X= F, Cl, Br and I) for visible-light photocatalytic water splitting application

Materials Research Bulletin, Journal Year: 2025, Volume and Issue: unknown, P. 113328 - 113328

Published: Jan. 1, 2025

Language: Английский

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The incorporation of Cs and K into the crystal structure of Rb2SnBr6 double perovskite: A DFT perspective

Materials Science in Semiconductor Processing, Journal Year: 2024, Volume and Issue: 186, P. 109044 - 109044

Published: Oct. 30, 2024

Language: Английский

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The first principle calculations of band offsets among Cs2(Ti, Zr, Hf)X6 double halide perovskites

Computational Materials Science, Journal Year: 2024, Volume and Issue: 246, P. 113436 - 113436

Published: Oct. 4, 2024

Language: Английский

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Novel Tl2SnX6 (X=Cl,Br) double perovskites for photovoltaic applications: A DFT insight

Computational Condensed Matter, Journal Year: 2024, Volume and Issue: 41, P. e00979 - e00979

Published: Nov. 13, 2024

Language: Английский

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