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cond-mat.mtrl-sci2017★ 1 cited
Interaction between the small gas molecules and the defective WSe2 monolayer
Ma Dongwei, He Chaozheng, Ma Benyuan +4
In this study, the interaction between the gas molecules, including H2O, N2, CO, NO, NO2 and N2O, with the WSe2 monolayer containing a Se vacancy (denoted as VSe) is theoretically…
cond-mat.mtrl-sci2017
Theoretical insight into the interaction of O2 and H2O molecules with the perfect and the defective InSe monolayers
Dongwei Ma, Tingxian Li, Chaozheng He +4
By using first-principles calculation, the interaction of O2 and H2O molecules with the pristine and the defective InSe monolayers is studied. It is predicted that the single Se an…