期刊
PHYSICS LETTERS A
卷 377, 期 31-33, 页码 1905-1910出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.physleta.2013.05.004
关键词
Electronic transport property; Zigzag graphene nanoribbon heterojunction; Edge hydrogenation; Rectifying effect
资金
- Natural Science Foundation of China [21103232]
- Natural Science Foundation of Hunan Province [11JJ3073]
- High Performance Computing Center of Central South University
Using nonequilibrium Green's functions in combination with the density functional theory, we investigated the electronic transport behaviors of zigzag graphene nanoribbon (ZGNR) heterojunctions with different edge hydrogenations. The results show that electronic transport properties of ZGNR heterojunctions can be modulated by hydrogenations, and prominent rectification effects can be observed. We propose that the edge dihydrogenation leads to a blocking of electronic transfer, as well as the changes of the distribution of the frontier orbital at negative/positive bias might be responsible for the rectification effects. These results may be helpful for designing practical devices based on graphene nanoribbons. Crown Copyright (C) 2013 Published by Elsevier B.V. All rights reserved.
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