Graphane/Fluorographene Bilayer: Considerable C–H⋯F–C Hydrogen Bonding and Effective Band Structure Engineering.

Systematic density functional theory (DFT) computations revealed the existence of considerable C-H⋯F-C bonding between the experimentally realized graphane and fluorographene layers. The unique C-H⋯F-C bonds define the conformation of graphane/fluorographene (G/FG) bilayer and contribute to its stab...

Full description

Bibliographic Details

Published in:	Journal of the American Chemical Society Vol. 134; no. 27; pp. 11269 - 11276
Main Authors:	Yafei Li, Fengyu Li, Zhongfang Chen
Format:	Article
Published:	American Chemical Society 7/11/2012
Subjects:	Chemical research Graphene Chemical bonds Hydrogen bonding Carbon-hydrogen bonds Fluorine Density functionals Band gaps
Online Access:	View this record in EBSCOhost