Welcome to M3L!

Multiscale Materials Modeling Laboratory

Recent Publications

Nov. 25, 2025

RSC Advances

15, 47282-47290 (2025)

A computational insight of the physical properties of MoSX (X= Cl, Br, I) for green energy applications
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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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Nov. 5, 2024

ACS Applied Electronic materials

6 (11), 8328-8338 (2024)

Defect Engineering of Ferroelectric Hysteresis in Lead-Free Bi1/2(Na,K)1/2TiO3 Thin Films
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