title: Band gap engineering of BN sheets by interlayer dihydrogen bonding and electric field control.
abstract: An unconventional bonding: The presence of interlayer B-H⋅⋅⋅H-N dihydrogen bonds in hydrogenated bilayer BN nanosheets reduces the intrinsic large band gap of the chair-type BN conformation owing to interlayer charge transfer. In contrast, the insulating properties of the thermodynamically more stable stirrup-type bilayer BN can be engineered by applying an electric field. These results illuminate a new pathway for band gap engineering of 2D BN nanomaterials.
authors.affiliation: Department of Chemistry, Institute for Functional Nanomaterials, University of Puerto Rico, Rio Piedras Campus, San Juan, PR 00931.
authors.forename: Qing
authors.initials: Q
authors.lastname: Tang
authors.forename: Zhen
authors.initials: Z
authors.lastname: Zhou
authors.forename: Panwen
authors.initials: P
authors.lastname: Shen
authors.forename: Zhongfang
authors.initials: Z
authors.lastname: Chen