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

Abstract

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.