967 citations · 5.4k across the 73 of their papers we have counts for
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Atomic-scale mechanisms of defect- and light-induced oxidation and degradation of InSe
Andrey A. Kistanov, Yongqing Cai, Kun Zhou +2
Layered indium selenide (InSe), a new two-dimensional (2D) material with a hexagonal structure and semiconducting characteristic, is gaining increasing attention owing to its intri…
Exploring the Charge Localization and Band Gap Opening of Borophene: A First-Principles Study
Andrey A. Kistanov, Yongqing Cai, Kun Zhou +3
Recently synthesized two-dimensional (2D) boron, borophene, exhibits a novel metallic behavior rooted in the s-p orbital hybridization, distinctively different from other 2D materi…
Superior lattice thermal conductance of single layer borophene
Hangbo Zhou, Yongqing Cai, Gang Zhang +1
By way of the nonequilibrium Green's function simulations and first principles calculations, we report that borophene, a single layer of boron atoms that was fabricated recently, p…
Charge Transfer and Functionalization of Monolayer InSe by Physisorption of Small Molecules for Gas Sensing
Yongqing Cai, Gang Zhang, Yong-Wei Zhang
First-principles calculations are performed to investigate the effects of the adsorption of gas molecules (CO, NO, NO2, H2S, N2, H2O, O2, NH3 and H2) on the electronic properties o…
Strain and Water Effects on the Electronic Structure and Chemical Activity of In-Plane Graphene/Silicene Heterostructure
Andrey A Kistanov, Yongqing Cai, Yong-Wei Zhang +2
By using first-principles calculations, the electronic structure of planar and strained in-plane graphene/silicene heterostructure is studied. The heterostructure is found to be me…