3 years ago

Adsorption sensitivity of graphane decorated with B, N, S, and Al towards HCN: a first-principles study

Adsorption sensitivity of graphane decorated with B, N, S, and Al towards HCN: a first-principles study
Yongliang Yong, Xiangying Su, Xiaohong Li, Qingxiao Zhou, Weiwei Ju, Zhibing Fu, Chaoyang Wang
The geometric structure, adsorption energy, electronic structure, and magnetic properties of hydrogenated graphene (graphane) with the adsorption of a HCN molecule were investigated by first-principles calculations.

Publisher URL: http://feeds.rsc.org/~r/rss/ra/~3/E4sb8s7AX3Q/C7RA08579F

DOI: 2017/RA/C7RA08579F

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