7.9k citations · 8.4k across the 15 of their papers we have counts for
15 papers
Computational Search for Two-Dimensional Photocatalysts
Vei Wang, Gang Tang, Ya-Chao Liu +4
To overcome current serious energy and environmental issues, photocatalytic water splitting holds great promise because it requires only solar energy as an energy input to produce…
Fermi arcs of topological surface states in multi-Weyl Semimetals
Y. C. Liu, V. Wang, J. B. Lin +1
The Fermi arcs of topological surface states in the three-dimensional multi-Weyl semimetals on surfaces by a continuum model are investigated systematically. We calculated analytic…
Angle-dependence of interlayer coupling in twisted transition metal dichalcogenide heterobilayers
W. T. Geng, V. Wang, J. B. Lin +2
We reveal by first-principles calculations that the interlayer binding in a twisted MoS2/MoTe2 heterobilayer decreases with increasing twist angle, due to the increase of the inter…
Orbital-Energy Splitting in Anion Ordered Ruddlesden-Popper Halide Perovskites for Tunable Optoelectronic Applications
Gang Tang, Vei Wang, Yajun Zhang +2
The electronic orbital characteristics at the band edges plays an important role in determining the electrical, optical and defect properties of perovskite photovoltaic materials.…
Moiré potential, lattice corrugation, and band gap spatial variation in a twist-free MoS2/MoTe2 heterobilayer
W. T. Geng, V. Wang, Y. C. Liu +2
To have a fully ab initio description of the Moiré pattern in a transition metal dichalcogenide heterobilayer, we have carried out density functional theory calculations, taking ac…
Modulation of Nearly Free Electron States in Hydroxyl-Functionalized MXenes: A First-Principles Study
Jiaqi Zhou, Mohammad Khazaei, Ahmad Ranjbar +5
The transition metal carbides (namely MXenes) and their functionalized derivatives exhibit various physical and chemical characteristics and offer many potential applications in el…