The feasibility of mixed Ga and In hybrid halide perovskites as alternatives to Pb halide perovskites

Kalita, Tanmoy; Chutia, Tridip; Tumung, Ranjit; Kalita, Dhruba Jyoti

doi:10.1039/d3nj04558g

New J. Chem.

2024

DOI: 10.1039/d3nj04558g

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The feasibility of mixed Ga and In hybrid halide perovskites as alternatives to Pb halide perovskites

Tanmoy Kalita,

Tridip Chutia,

Ranjit Tumung

et al.

Abstract: Organic-inorganic lead halide perovskites have rapidly emerged over the last few decades as photovoltaic materials due to their high power conversion efficiency (PCE). The high efficiency of these kinds of...

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2024

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Cited by 3 publications

References 66 publications

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Machine learned analysis of pnictides based Sr3PnCl3 (Pn = P, As, Sb) halide perovskites for next-generation solar applications

Mishra,

Chahar,

Sharma

2024

Physics Letters A

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Machine learned analysis of pnictides based Sr3PnCl3 (Pn = P, As, Sb) halide perovskites for next-generation solar applications

Mishra,

Chahar,

Sharma

2024

Physics Letters A

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An extensive investigation of structural, electronic, and optical properties of inorganic perovskite Ca3AsCl3 for photovoltaic and optoelectronic applications: A first-principles approach using Quantum ATK tool

Mishra,

Chahar,

Sharma

2024

Solid State Communications

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Study of structural, mechanical, thermal, and electronic structure properties of A2SnCl6 (A = Cs, Rb) perovskites for energy generation applications

Alsalmi,

Rashid

2024

JOR

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The structural, mechanical, thermal, and electronic structure properties of lead-free vacancy-ordered perovskites A2SnCl6 (A = Cs, Rb) were investigated by first-principles calculations under pressure in the DFT framework. DFT is used to study the effect of pressure (0–40 GPa) on these properties of A2SnCl6 (A = Cs, Rb) perovskites. The mechanical parameters show that these two perovskites in nature are mechanically stable, anisotropic, and ductile. It is shown that, as pressure increases, the electronic band gap of Cs2SnCl6 and Rb2SnCl6 increases from 3.495 eV to 4.958 eV and 3.446 eV to 4.722 eV, respectively. Electronic structure calculations show that Sn s orbitals and halogen Cl p orbitals mainly form the conduction band through combination, while the valence band consists only of halogen Cl p orbitals. The mechanical and electronic properties analysis proposes that these two perovskites are potential candidates for optoelectronic applications that work under changing pressure and altitude.

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The feasibility of mixed Ga and In hybrid halide perovskites as alternatives to Pb halide perovskites

Abstract: Organic-inorganic lead halide perovskites have rapidly emerged over the last few decades as photovoltaic materials due to their high power conversion efficiency (PCE). The high efficiency of these kinds of...

Cited by 3 publications

References 66 publications

Machine learned analysis of pnictides based Sr3PnCl3 (Pn = P, As, Sb) halide perovskites for next-generation solar applications

Machine learned analysis of pnictides based Sr3PnCl3 (Pn = P, As, Sb) halide perovskites for next-generation solar applications

An extensive investigation of structural, electronic, and optical properties of inorganic perovskite Ca3AsCl3 for photovoltaic and optoelectronic applications: A first-principles approach using Quantum ATK tool

Study of structural, mechanical, thermal, and electronic structure properties of A2SnCl6 (A = Cs, Rb) perovskites for energy generation applications

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