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Multiscale Materials Modeling Laboratory
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Recent Publications
June 3, 2025
ACS Applied Energy Materials
8 (12), 8056-8065 (2025)
Exploring Ultralow Lattice Thermal Conductivity in a 2D Hexagonal Structure of M
3
Te
2
(M = Zn, Cd, and Hg)
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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
More Info