Eur. Phys. J. Appl. Phys.
Volume 70, Number 3, June 2015
|Number of page(s)||6|
|Section||Surfaces and Interfaces|
|Published online||09 June 2015|
Stability, electronic and magnetic properties of Co-anchored on graphene sheets towards S, SH and H2S molecules
College of Physics and Electronic Engineering, Zhengzhou Normal University, Zhengzhou, 450044
Henan, P.R. China
2 Quantum Materials Research Center, Zhengzhou Normal University, 450044 Henan, P.R. China
3 College of Physics and Electronic Engineering, Henan Normal University, Xinxiang, 453007 Henan, P.R. China
a e-mail: firstname.lastname@example.org
Revised: 8 April 2015
Accepted: 13 May 2015
Published online: 9 June 2015
The adsorption behaviors of H2S and its intermediates (SH and S) on Co anchored graphene sheets (Co-graphene) are investigated using first-principles calculations based density functional theory. It is found that the adsorbed SH and S species on the Co-graphene sheets are more stable than that of the H2S molecule. Besides, the chemisorbed SH and S species on the Co-graphene can lead to dramatic changes in the electronic structure and magnetic property by the occurring charge transfer. The electronic transport behaviors of Co-graphene nanosheets indicate that the chemical sensors construct with the materials could exhibit high sensitivity for detecting SH and S species. Therefore, these results provide valuable guidance on designing graphene-based gas sensors.
© EDP Sciences, 2015
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