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Multiscale Materials Modeling Laboratory

Recent Publications

July 2, 2026

Small

, e74629 (2026)


Engineering heterostructure of S-doped MoSe2 quantum dots and MXene-derived TiO2 nanosheets for highly efficient noble metal-free catalysts for photocatalytic and pH-universal electrocatalytic hydrogen evolution
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June 24, 2026

Solid State Sciences

180, 108407 (2026)


Local electronic band structure around ferroelectric domain wall in metastable HfO2
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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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