Welcome to M3L!

Multiscale Materials Modeling Laboratory

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 M3Te2 (M = Zn, Cd, and Hg)
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April 5, 2025

Journal of Alloys and Compounds

1021, 179495 (2025)

Exploring the imprint effect of oxygen-deficient PbTiO3 thin films on energy storage characteristics of ferroelectric capacitors
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March 1, 2025

Computational Condensed Matter

42, e00997 (2025)

Magneto-optic and photocatalytic response of CuCrX3 (X=Cl, Br, I) for energy storage applications
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