Journal
ACS NANO
Volume 3, Issue 12, Pages 4017-4022Publisher
AMER CHEMICAL SOC
DOI: 10.1021/nn901317d
Keywords
hydrogenation; graphene; graphane; density functional calculation; nanoribbons
Categories
Funding
- National Science Foundation [DMR-0934142]
- Army Research Office [W911NF-06-1-0442]
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [0934142] Funding Source: National Science Foundation
Ask authors/readers for more resources
Graphane is a two-dimensional system consisting of a single planar layer of fully saturated carbon atoms, which has recently been realized experimentally through hydrogenation of graphene membranes. We have studied the stability of chair, boat, and twist-boat graphane structures using first-principles density functional calculations. Our results indicate that locally stable twist-boat membranes significantly contribute to the experimentally observed lattice contraction. The band gaps of graphane nanoribbons decrease monotonically with the increase of the ribbon width and are insensitive to the edge structure. The implications of these results for future hydrogenated graphene applications are discussed,
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