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Band Gap Engineering of BN Sheets by Interlayer Dihydrogen Bonding and Electric Field Control
Authors:Qing Tang  Prof. Dr. Zhen Zhou  Prof. Panwen Shen  Prof. Dr. Zhongfang Chen
Affiliation:1. Department of Chemistry, Institute for Functional Nanomaterials, University of Puerto Rico, Rio Piedras Campus, San Juan, PR 00931 (USA);2. Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), Institute of New Energy Material Chemistry, Computational Center for Molecular Science, Nankai University, Tianjin 300071 (China)
Abstract:
Keywords:boron nitride  density functional theory computations  dihydrogen bonds  electronic structure  layered compounds
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