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

• المؤلفون الرئيسيون: Kistanov, Andrey A., Cai, Yongqing, Zhou, Kun, Dmitriev, Sergey V., Zhang, Yong-Wei
• مؤلفون آخرون: School of Mechanical and Aerospace Engineering
• التنسيق: مقال
• اللغة: English
• منشور في: 2020
• الموضوعات: Engineering::Mechanical engineering; Surface Functionalization; Molecular Adsorption
• الوصول للمادة أونلاين: https://hdl.handle.net/10356/142120

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...