Band-gap manipulations of monolayer graphene by phenyl radical adsorptions : a density functional theory study

• Main Authors: Huang, Lin, Sk, Mahasin Alam, Chen, Peng, Lim, Kok Hwa
• 其他作者: School of Chemical and Biomedical Engineering
• 格式: Article
• 語言: English
• 出版: 2014
• 主題: DRNTU::Science::Chemistry::Physical chemistry
• 在線閱讀: https://hdl.handle.net/10356/105130; http://hdl.handle.net/10220/20691; http://dx.doi.org/10.1002/cphc.201402133
• 機構: Nanyang Technological University

Phenyl radical (Ph.) adsorption on monolayer graphene sheets is used to investigate the band-gap manipulation of graphene through density functional theory. Adsorption of a single Ph. on graphene breaks the aromatic π-bond and generates an unpaired electron, which is delocalized to the ortho or para...