Wei Li

Wei Li

PhD candidate, Theoretical Chemistry/Computational Physics

Publications

You can also find my articles on my Google Scholar profile.

2025

Independent tuning of exciton g-factors and electric dipole moments in twisted MoS2/WS2 heterostructures

Published in ChemRxiv preprint, 2025

Abstract: Twist-angle engineering of van der Waals heterobilayers is promising for designing quantum materials. However, establishing a microscopic framework connecting the geometry of moiré superlattices to experimentally accessible observables has remained unexplored…

Citation: Wei Li, Gautam Jha, Thomas Brumme, Thomas Heine. (2025). "Independent tuning of exciton g-factors and electric dipole moments in twisted MoS2/WS2 heterostructures." ChemRxiv. doi:10.26434/chemrxiv-2023-g6v5r-v2.
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Edge-state competition in a 2D topological insulator-semiconductor heterostructure

Published in arXiv preprint, 2025

Abstract: Quantum spin Hall edge transport in two-dimensional transition-metal dichalcogenides depends on whether their one-dimensional edge channels are preserved under realistic substrates and device boundaries…

Citation: Wei Li, Pier Philipsen, Thomas Brumme, Thomas Heine. (2025). "Edge-state competition in a 2D topological insulator-semiconductor heterostructure." arXiv. arXiv:2508.12841.
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2024

Relaxation Effects in Transition Metal Dichalcogenide Bilayer Heterostructures

Published in npj 2D Materials and Applications, 2024

Abstract: While moiré structures in twisted bilayer transition metal dichalcogenides (TMDCs) have been studied for over a decade, the importance of lattice relaxation effects…

Citation: Wei Li, Thomas Brumme, Thomas Heine. (2024). "Relaxation Effects in Transition Metal Dichalcogenide Bilayer Heterostructures." npj 2D Materials and Applications. 8(1), 43.
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2020

Pressure-Mediated Structural Phase Transitions and Ultrawide Indirect–Direct Bandgaps in Novel Rare-Earth Oxyhalides

Published in Journal of Materials Chemistry C, 2020

Abstract: Ultrawide bandgap semiconductors are fundamentally important in solid-state lighting, transparent electrodes and power electronics, but their 2D forms are rarely reported and less studied…

Citation: Wei Li, Naihua Miao, Jian Zhou, Zhimei Sun. (2021). "Pressure-Mediated Structural Phase Transitions and Ultrawide Indirect–Direct Bandgaps in Novel Rare-Earth Oxyhalides." Journal of Materials Chemistry C. 9(2), 547-554.
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Stabilizing a Lithium Metal Battery by an In Situ Li2S-modified Interfacial Layer via Amorphous-Sulfide Composite Solid Electrolyte

Published in Nano Letters, 2020

Abstract: A novel strategy has been proposed to produce in situ Li2S at the interfacial layer between lithium anode and the solid electrolyte…

Citation: Chen Lai, Chengyong Shu, Wei Li, Liu Wang, Xiaowei Wang, Tianran Zhang, Xuesong Yin, Iqbal Ahmad, Mingtao Li, Xiaolu Tian, Pu Yang, Wei Tang, Naihua Miao, Guangyuan Wesley Zheng. (2020). "Stabilizing a Lithium Metal Battery by an In Situ Li2S-modified Interfacial Layer via Amorphous-Sulfide Composite Solid Electrolyte." Nano Letters. 20(11), 8273-8281.
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