Enhancing the optoelectronic and mechanical response of MgXCl3 (X = Rb, Cl) for advance energy conversion applications
Sign Up to like & getrecommendations! Published in 2025 at "Scientific Reports"
DOI: 10.1038/s41598-025-97019-x
Abstract: Using the wien2k package in DFT, the structural, elastic, electrical, and optical characteristics of MgXCl3 (X = Rb, Ca) were investigated. Structural analysis confirmed the stability of these compounds and revealed that they possessed a cubic structure… read more here.
Keywords: energy; mgxcl3 advance; optoelectronic mechanical; response mgxcl3 ... See more keywords
DFT-based study of the structural, optoelectronic, mechanical and magnetic properties of Ti3AC2 (A = P, As, Cd) for coating applications
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DOI: 10.1039/d1ra07856a
Abstract: The first-principles approach has been used while employing the Perdew–Burke–Ernzerhof exchange-correlation functional of generalized gradient approximation (PBE-GGA) along with the Hubbard parameter to study the structural, optoelectronic, mechanical and magnetic properties of titanium-based MAX materials… read more here.
Keywords: mechanical magnetic; study structural; optoelectronic mechanical; magnetic properties ... See more keywords
First principle insights on optoelectronic, mechanical, and thermoelectric properties of double perovskites Li2ScAu (Br/I)6 for energy harvesting applications
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DOI: 10.1088/1402-4896/ad63e4
Abstract: Li-based double perovskites (DPs) are extensively studied due to their potential applications for solar cells and thermoelectric devices. In the current paper, I have explored the electronic, optical, transport, and mechanical properties of Li2ScAu (Br/I)6… read more here.
Keywords: insights optoelectronic; energy; double perovskites; optoelectronic mechanical ... See more keywords
The structural, magnetic, optoelectronic, and mechanical characteristics of NaGeX3 perovskites under pressure for soler-cell applications
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DOI: 10.1088/2053-1591/ad594d
Abstract: This study examines the physical properties of germanium-based halide perovskite through Density Functional Theory (DFT) computations. The physical, optical, mechanical, and magnetic properties of NaGeX3 (X = Cl, Br, and I) were examined with the… read more here.
Keywords: pressure; mechanical characteristics; structural magnetic; magnetic optoelectronic ... See more keywords