期刊
PHYSICS LETTERS A
卷 378, 期 7-8, 页码 667-671出版社
ELSEVIER
DOI: 10.1016/j.physleta.2013.12.042
关键词
Graphene nanoribbon; SO2; Molecule sensor; First principle
资金
- National Natural Science Foundation of China [11074200, 61176079, 11204231]
Structure, electronic, and transport properties of sulfur dioxide (SO2) molecule adsorbed on pure and Cr doped zigzag graphene nanoribbons (ZGNRs) are investigated by means of first principle density functional theory and nonequilibrium Green's function computations. It is found that Cr doped ZGNR is more sensitive to SO2 molecule than pure ZGNR. The pure ZGNRs with and without SO2 molecule show similar I-V curves, but the current of Cr doped ZGNR will significant increase after SO2 molecule adsorption. (C) 2014 Elsevier B.V. All rights reserved.
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