Publication Date:
2011-06-25
Description:
In order to exploit the potential applications of graphene as gas sensors, the adsorptions of a series of small gas molecules (such as CO, O 2 , NO 2 and H 2 O) on pristine graphene (PG) and Si-doped graphene (SiG) have been investigated by ab initio calculations. Our results indicate that the electronic properties of PG are sensitive to O 2 and NO 2 molecules, but not changed much by the adsorption of CO and H 2 O molecules. Compared with PG, SiG is much more reactive in the adsorption of CO, O 2 , NO 2 and H 2 O. The strong interactions between SiG and the adsorbed molecules induce dramatic changes to the electronic properties of SiG. Therefore, we suggest that SiG could be a good gas sensor for CO, O 2 , NO 2 and H 2 O. Content Type Journal Article Pages 1-5 DOI 10.1140/epjb/e2011-20225-8 Authors Y. Zou, Department of Physics, Qufu Normal University, Qufu, Shandong, 273165 P.R. China F. Li, Department of Physics, Taishan University, Taian, Shandong, 271021 P.R. China Z. H. Zhu, School of Chemical Engineering, University of Queensland, 4072 Brisbane, Australia M. W. Zhao, School of Physics, Shandong University, Jinan, Shandong, 250100 P.R. China X. G. Xu, Institute of Crystal Materials, Shandong University, Jinan, Shandong, 250100 P.R. China X. Y. Su, Department of Physics, Qufu Normal University, Qufu, Shandong, 273165 P.R. China Journal The European Physical Journal B - Condensed Matter and Complex Systems Online ISSN 1434-6036 Print ISSN 1434-6028
Print ISSN:
1434-6028
Electronic ISSN:
1434-6036
Topics:
Physics
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