Adsorption of H <sub>2</sub> S on graphane decorated with Fe, Co and Cu: a DFT study

Zhou, Qingxiao; Su, Xiangying; Ju, Weiwei; Yong, Yongliang; Li, Xiao‐Hong; Fu, Zhibing; Wang, Chaoyang

doi:10.1039/c7ra04905f

Public

Adsorption of H 2 S on graphane decorated with Fe, Co and Cu: a DFT study

Published in RSC Advances • Jan 1, 2017

Authors:

Qingxiao Zhou

Xiangying Su

Weiwei Ju

Abstract

Herein, density functional theory (DFT) calculations were performed to investigate the adsorption of a H 2 S molecule on the surface of hydrogenated graphene (graphane).

Subject

Graphane

Adsorption

Density functional theory

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