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

• Main Authors: Kistanov, A.A, Cai, Y, Zhou, K, Srikanth, N, Dmitriev, S.V, Zhang, Y.-W
• Other Authors: MATERIALS SCIENCE AND ENGINEERING
• Format: Article
• Published: Royal Society of Chemistry 2020
• Subjects: Calculations; Charge transfer; Electronic structure; Fluorine; Sulfur compounds; Charge delocalization; Charge localization; Chemical functionalization; First-principles calculation; First-principles study; Functionalizations; Orbital hybridization; Two Dimensional (2 D); Energy gap
• Online Access: https://scholarbank.nus.edu.sg/handle/10635/178541
• Institution: National University of Singapore

10.1039/c7nr06537j