Journal
JOURNAL OF MATERIALS CHEMISTRY
Volume 22, Issue 44, Pages 23380-23386Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c2jm35634a
Keywords
-
Funding
- National Science Foundation of China [11004076, 11034003]
- CAS Hundred Talents Program
- Centre for Functional Photonics (CFP) of City University of Hong Kong
Ask authors/readers for more resources
The interactions between a benzene molecule and multilayer graphenes have been studied in this work using a density-functional tight-binding method. Analysis of structural characteristics, energetics, charge distribution etc., uncovers remarkable charge transfer resulted from a strong interaction between the ionic benzene and neutral multilayer graphene that is not attained for their neutral counterparts, with a clear interesting trend of charge accumulation at the surface region. Moreover, the adsorption energy increases gradually as the increase of the number of graphene layers and the electronic density of states of the multilayer graphene is simply equivalent to the multiple of that of a single layer. The band gap of the multilayer graphene varies with the number of layers, which is not affected by the adsorption of ionic benzene but is altered by the neutral benzene adsorption by 0.05 eV.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available