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Bo-Yang Zheng

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Open access Nov 2025

Defect-Templated Phase Engineering in Atomically Thin Metals.

Achieving deterministic control over crystal phase at the atomic limit remains a fundamental challenge for atomically thin metals, where subtle differences in atomic registry can produce large changes in electronic and optical functionality. Here, we establish interfacial defect templating as a general materials-design...

Arpit Jain, Bo-Yang Zheng, Sawani Datta et al. · 1 citation
Open access Aug 2026

Development of a Reactive Force Field for VS2-Based 2D Materials: Modeling Defects, Melting, and Structural Transformations

To extend the study of vanadium disulfide (VS2) nanostructures beyond the system size and simulation time limits of ab initio methods, we introduce a new ReaxFF parameter set: ReaxFF VS2-2025. The ReaxFF VS2-2025 potential was parametrized against extensive quantum mechanical and experimental data, and it can accurat...

Matin Salimi Irdmusa, S. Dwivedi, F. Gür et al. · 0 citations

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