Jiang, De-en and Sumpter, Bobby G. and Dai, Sheng (2007) Unique chemical reactivity of a graphene nanoribbon's zigzag edge. JOURNAL OF CHEMICAL PHYSICS, 126 (13).
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Official URL: http://link.aip.org/link/?JCPSA6/126/134701/1
The zigzag edge of a graphene nanoribbon possesses a unique electronic state that is near the Fermi level and localized at the edge carbon atoms. The authors investigate the chemical reactivity of these zigzag edge sites by examining their reaction energetics with common radicals from first principles. A ``partial radical'' concept for the edge carbon atoms is introduced to characterize their chemical reactivity, and the validity of this concept is verified by comparing the dissociation energies of edge-radical bonds with similar bonds in molecules. In addition, the uniqueness of the zigzag-edged graphene nanoribbon is further demonstrated by comparing it with other forms of sp(2) carbons, including a graphene sheet, nanotubes, and an armchair-edged graphene nanoribbon. (c) 2007 American Institute of Physics.
|Subjects:||Material Science > Nanochemistry|
Material Science > Nanostructured materials
|Deposited By:||Anuj Seth|
|Deposited On:||13 Jan 2009 10:44|
|Last Modified:||13 Jan 2009 10:44|
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