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Multiscale Materials Modeling Laboratory
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Recent Publications
May 21, 2024
Optical and Quantum Electronics
56, 1094 (2024)
Optoelectronic and thermoelectric response of lead free halide double perovskites Rb
2
AgPX
6
(X=Cl, Br, I) for energy storage applications
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April 1, 2024
Physica B
682, 415916 (2024)
A computational approach to study the halides-based double perovskites Cs
2
InAuX
6
(X=Cl, Br) for low-cost energy technologies
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Sept. 27, 2023
Journal of Materials Chemistry A
11 (42), 22922 (2023)
Unveiling the structure and ions dynamics of amorphous Na
3−x
OH
x
Cl antiperovskite electrolytes by first-principles molecular dynamics
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