Tailoring the electronic and optical properties of CsAuCl₃ via rare-earth doping: A GGA + U + SOC DFT study for phosphor-converted LEDs and advanced optoelectronic applications

Chemical Physics, Journal Year: 2025, Volume and Issue: unknown, P. 112696 - 112696

Published: March 1, 2025

Language: Английский

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A first-principles study of pressure-induced changes in the physical properties and hydrogen storage capacities of alkali beryllium hydrides ABeH3 (A = Na, K) for green energy applications

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 116, P. 627 - 646

Published: March 14, 2025

Language: Английский

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Unlocking the Secrets of Alkali Metal Substitutions on Ground State Properties of Scheelite Oxides for Prospective Green Energy Applications

Journal of Inorganic and Organometallic Polymers and Materials, Journal Year: 2025, Volume and Issue: unknown

Published: April 23, 2025

Language: Английский

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DFT Investigation of Structural, Electronic, Optical, Mechanical, and Thermoelectric Properties of Halide Perovskites XZnCl3(X = Ag, Au, Cu)

Physica B Condensed Matter, Journal Year: 2025, Volume and Issue: unknown, P. 417309 - 417309

Published: May 1, 2025

Language: Английский

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Optoelectronic characteristics of Sulfur-doped LaAlO3 at hydrostatic pressures: A computational study

Computational Condensed Matter, Journal Year: 2025, Volume and Issue: unknown, P. e01054 - e01054

Published: April 1, 2025

Language: Английский

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