Exploring the charge localization and band gap opening of borophene : a first-principles study

• Main Authors: Kistanov, Andrey A., Cai, Yongqing, Zhou, Kun, Srikanth, Narasimalu, Dmitriev, Sergey V., Zhang, Yong-Wei
• Other Authors: School of Mechanical and Aerospace Engineering
• Format: Article
• Language: English
• Published: 2020
• Subjects: Engineering::Mechanical engineering; Borophene; Charge Localization
• Online Access: https://hdl.handle.net/10356/141101
• Institution: Nanyang Technological University

Recently synthesized two-dimensional (2D) boron, borophene, exhibits a novel metallic behavior rooted in the s–p orbital hybridization, distinctively different from other 2D materials such as sulfides/selenides and semi-metallic graphene. This unique feature of borophene implies new routes for charg...