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Multiscale Materials Modeling Laboratory

Recent Publications

Sept. 27, 2023

Journal of Materials Chemistry A

11 (42), 22922 (2023)


Unveiling the structure and ions dynamics of amorphous Na3−xOHxCl antiperovskite electrolytes by first-principles molecular dynamics
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May 4, 2023

Materials Today Communication

35, 106124 (2023)


Defects Mediated Electronic and Magnetic Properties of Monolayer Janus SnSSe
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April 25, 2023

physica status solidi b

270 (7), 23000028 (2023)


Enhanced Device Absorption Efficiency and Photocatalytic Response of Monolayer PtX2 (X = S, Se, Te) for Photocatalysis and Solar Cell Applications
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