First principle study of X2GaAgCl6 (X = Cs, Rb) double perovskites: structural, mechanical, vibrational, electronic, optical, SLME, thermoelectric, and thermodynamic properties for solar cell applications

Rehman, Zia Ur; Rehman, Muhammad Awais; Khan, Muhammad Rashid; Rehman, Bushra; Sikiru, Surajudeen; Rizwan, Muhammad; Chafi, Mohammed; Usman, Muhammad

doi:10.1007/s11356-024-33556-8

Environ Sci Pollut Res

2024

DOI: 10.1007/s11356-024-33556-8

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First principle study of X2GaAgCl6 (X = Cs, Rb) double perovskites: structural, mechanical, vibrational, electronic, optical, SLME, thermoelectric, and thermodynamic properties for solar cell applications

Zia Ur Rehman,

Muhammad Awais Rehman,

Muhammad Rashid Khan

et al.

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Cited by 5 publications

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A DFT investigation of Sc-based perovskite-type hydrides XScH3 (X = K, Na) for hydrogen storage application

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First principle study of X2GaAgCl6 (X = Cs, Rb) double perovskites: structural, mechanical, vibrational, electronic, optical, SLME, thermoelectric, and thermodynamic properties for solar cell applications

Cited by 5 publications

References 35 publications

A DFT investigation of Sc-based perovskite-type hydrides XScH3 (X = K, Na) for hydrogen storage application

A DFT investigation of Sc-based perovskite-type hydrides XScH3 (X = K, Na) for hydrogen storage application

Modulating the optoelectronic characteristics of ZnS through transition metals doping: insights from density functional theory

Novel KXBr3 (X = Ca, Sr, Ba) lead-free halide perovskites for optoelectronic applications: A DFT investigation of mechanical and optoelectronic properties

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