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Strain Engineering of Antimonene by a First-principles Study: Mechanical and Electronic Properties
Devesh R. Kripalani, Andrey A. Kistanov, Yongqing Cai +2
In this work, we investigate the mechanical and electronic properties of monolayer antimonene in its most stable beta-phase using first-principles calculations. The upper region of…
Effects of Graphene/BN Encapsulation, Surface Functionalization and Molecular Adsorption on the Electronic Properties of Layered InSe: A First-Principles Study
Andrey A. Kistanov, Yongqing. Cai, Kun Zhou +2
By using first-principles calculations, we investigated the effects of graphene/boron nitride (BN) encapsulation, surface functionalization by metallic elements (K, Al, Mg and typi…
A First-Principles Study on the Adsorption of Small Molecules on Antimonene: Oxidation Tendency and Stability
Andrey A. Kistanov, Yongqing Cai, Devesh R. Kripalani +3
Antimonene, a new group-VA 2D semiconducting material beyond phosphorene, was recently synthesized through various approaches and was shown to exhibit a good structural integrity i…