The exchange-correlation potential correction to the vacuum potential barrier of graphene edge
Autor: | Wang, Weiliang, Shao, Junwen, Li, Zhibing |
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Rok vydání: | 2011 |
Předmět: | |
Druh dokumentu: | Working Paper |
DOI: | 10.1016/j.cplett.2011.12.002 |
Popis: | We investigated the vacuum potential barriers of various graphene edges terminated with hydrogen, oxygen, hydroxyl group and ether group respectively. It is found that the exchange-correlation potential correction is significant to the edge structures with electronegativity higher than carbon. The correction leads to the local work function decreased by more than 1. eV for the O terminated edge, while the local work function of H and OH terminated edges remain unchanged. Comment: 7 pages, 3 figures. This article will appeare in Chem. Phys. Lett. and may be found at http://www.sciencedirect.com/science/article/pii/S0009261411014825 |
Databáze: | arXiv |
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