Effects of graphene/BN encapsulation, surface functionalization and molecular adsorption on the electronic properties of layered InSe : a first-principles study

• Main Authors: Kistanov, Andrey A., Cai, Yongqing, Zhou, Kun, Dmitriev, Sergey V., Zhang, Yong-Wei
• Other Authors: School of Mechanical and Aerospace Engineering
• Format: Article
• Language: English
• Published: 2020
• Subjects: Engineering::Mechanical engineering; Surface Functionalization; Molecular Adsorption
• Online Access: https://hdl.handle.net/10356/142120
• Institution: Nanyang Technological University

By using first-principles calculations, we investigated the effects of graphene/boron nitride (BN) encapsulation, and surface functionalization by metallic elements (K, Al, Mg and typical transition metals) and molecules (tetracyanoquinodimethane (TCNQ) and tetracyanoethylene (TCNE)) on the electron...