453 citations · 1.2k across the 11 of their papers we have counts for
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The potential applications of phosphorene as anode materials in Li-ion batteries
Shijun Zhao, Wei Kang
The capacity and stability of constituent electrodes determine the performance of Li-ion batteries. In this study, density functional theory is employed to explore the potential ap…
Manipulation of electronic and magnetic properties of MC (M=Hf, Nb, Sc, Ta, Ti, V, Zr) monolayer by applying mechanical strains
Shijun Zhao, Wei Kang, Jianming Xue
Tuning the electronic and magnetic properties of a material through strain engineering is an effective strategy to enhance the performance of electronic and spintronic devices. Rec…
Surface Engineering of Synthetic Nanopores by Atomic Layer Deposition and Their Applications
Ceming Wang, Delin Kong, Qiang Chen +1
In the past decade, nanopores have been developed extensively for various potential applications, and their performance greatly depends on the surface properties of the nanopores.…
Fabrication of nanopores in a graphene sheet with heavy ions: a molecular dynamics study
Weisen Li, Li Liang, Shijun Zhao +2
Molecular dynamics (MD) simulations were performed to study the formation process of nanopores in a suspended graphene sheet irradiated by using energetic ions though a mask. By co…
Gas adsorption on MoS2 monolayer from first-principles calculations
Shijun Zhao, Jianming Xue, Wei Kang
First-principles calculations within density functional theory (DFT) have been carried out to investigate the adsorption of various gas molecules including CO, CO2, NH3, NO and NO2…