https://doi.org/10.1051/epjap/2015150093
Stability, electronic and magnetic properties of Co-anchored on graphene sheets towards S, SH and H2S molecules
1
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: yntang2010@hotmail.com
Received:
15
February
2015
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
