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Multiscale Materials Modeling Laboratory

Recent Publications

July 2, 2026

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, 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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May 1, 2026

Applied Surface Science Advances

34, 100993 (2026)


Ferroelectric polarization and bandgap engineering in perovskite oxide via sulfur diffusion
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March 1, 2025

Solid State Communications

397, 115846 (2025)


Strain dependent physical properties of the lead-free perovoskite ZnZrO3 for energy device applications
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