Markedly different adsorption behaviors of gas molecules on defective monolayer MoS
                    <sub>2</sub>
                    : a first-principles study

Li, Hongxing; Huang, Min; Cao, Gengyu

doi:10.1039/c6cp01362g

Public

Markedly different adsorption behaviors of gas molecules on defective monolayer MoS 2 : a first-principles study

Shared by NobleBlocks on Jan 1, 2016 • 12:00 AM UTC

Authors:

Hongxing Li

Min Huang

Gengyu Cao

Abstract

Different gas molecules adsorbed on monolayer MoS 2 with single S vacancy behave differently. Particularly, NO 2 dissociates on defective MoS 2 with low activation barrier energy forming NO molecule and O atom filling in S vacancy.

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