期刊
JOURNAL OF PHYSICAL CHEMISTRY C
卷 113, 期 33, 页码 15043-15045出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp9053499
关键词
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资金
- NSFC [20873067]
- NCET
- NSF [CHE-0716718]
- Institute for Functional Nanomaterials [0701525]
- US Environmental Protection Agency [RD-83385601]
The structural and electronic properties of graphane nanoribbons, i.e., completely hydrogenated graphene nanoribbons, were investigated by means of density functional theory computations. Because all the carbon atoms are sp(3)-hybridized and saturated with hydrogen atoms, graphane nanoribbons present completely different electronic properties compared with graphene nanoribbons. Independent of the chirality, graphane nanoribbons are always wide-band-gap semiconductors. Graphane nanoribbons have favorable formation energies, and can be realized by hydrogenating graphene nanoribbons or cutting experimentally available graphanes. These one-dimensional hydrocarbons will find their potential applications to nanotechnology after further hand structure tuning.
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