News

09/14/16

Professor Chen’s recent JACS paper predicted a graphene-like material with hypercoordinate transition metal


Dr. Chen recently extended the concept of planar hypercoordinate transition metal to two-dimensional (2D) nanomaterials, and predicted three FeB6 monolayers, namely α-FeB6, β-FeB6 and γ-FeB6, which consist of the Fe©Bx (x = 6, 8) wheels with planar hypercoordinate Fe atoms locating at the center of six- or eight-membered boron rings. The 2D boron networks are dramatically stabilized by the electron transfer from Fe atoms, and the FeB6 monolayers have pronounced stabilities. The α-FeB6 monolayer is metallic, while the β-FeB6 and γ-FeB6 sheets are semiconductors with indirect band gaps and significant visible-light absorptions. Besides the novel chemical bonding, the high feasibility for experimental realization, and unique electronic and optical properties, render them very welcome new members to the graphene-like materials family.

Abstract Image

For more details, please refer to

FeB6 Monolayers: The Graphene-like Material with Hypercoordinate Transition Metal
Haijun Zhang, Yafei Li, Jianhua Hou, Kaixiong Tu, Zhongfang Chen*
J. Am. Chem. Soc. 2016, 138, 5644–5651.

http://pubs.acs.org/doi/abs/10.1021/jacs.6b01769