Investigation on Thermodynamic Properties of Novel Ag2SrSn(S/Se)4 Quaternary Chalcogenide for Solar Cell Applications: A Density Functional Theory Study

Article Multidisciplinary Sciences

Device Simulation of Ag2SrSnS4 and Ag2SrSnSe4 Based Thin-Film Solar Cells from Scratch

Ashutosh Srivastava et al.

Summary: The study investigated the structural, optoelectronic, and elastic properties of quaternary chalcogenide materials Ag2SrSn(S/Se)(4) in kesterite and stannite phases, with a focus on their potential as efficient absorber layer materials in thin-film solar cells. The results show promising absorber efficiency and predicted efficiency for Ag2SrSnSe4 in both kesterite and stannite phases.

ADVANCED THEORY AND SIMULATIONS (2022)

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Article Materials Science, Multidisciplinary

An ab-initio investigation of mechanical and thermodynamic properties of Ag2MgSn(S/Se)4 in kesterite and stannite phases

A. Srivastava et al.

Summary: In this study, mechanical, thermodynamic properties, and phonon calculations of quaternary chalcogenide material Ag2MgSn(S/Se)(4) in different phases were conducted using density functional theory. The results showed mechanical stability, ductility, and higher elastic modulus in certain crystal plane direction. These findings may be useful for thin-film solar cell fabrication.

APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING (2021)

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Article Materials Science, Multidisciplinary

First-principles calculations of electronic, optical, phononic and thermodynamic properties of C40-type TMSi2 (TM = Cr, Mo, W) disilicides

Yaoping Lu et al.

Summary: First-principles calculations were used to investigate the electronic structure and optical, thermodynamic, and phononic properties of C40-type CrSi2, MoSi2, and WSi2 disilicides. These materials exhibit different band gaps and optical anisotropy, with potential applications as optical shielding devices in the far ultraviolet region. The phononic properties suggest that these disilicides are dynamically stable, with a Dulong-Petit limit for specific heat capacity.

VACUUM (2021)

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Article Materials Science, Multidisciplinary

First principles study of Bi12GeO20: Electronic, optical and thermodynamic characterizations

M. Isik et al.

Summary: The study thoroughly investigated the electronic, optical, and thermodynamic properties of Bi12GeO20 compound using density functional theory, obtaining insights into its crystal structure, band gap energy, and band structure. The results indicated significant potential for Bi12GeO20 in ultraviolet applications, providing valuable information for its device applications.

MATERIALS TODAY COMMUNICATIONS (2021)

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Article Energy & Fuels