Markedly different adsorption behaviors of gas molecules on defective monolayer MoS2: a first-principles study
Sulfur vacancy (SV) is one of the most typical defects in two-dimensional monolayer MoS2, leading to reactive sites. We presented a systematic study of the adsorption behaviors of gas molecules, CO2, N2, H2O, CO, NH3, NO, O2, H2 and NO2, on monolayer MoS2 with single SV by first-principles calculati...
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| Veröffentlicht in: | Physical chemistry chemical physics : PCCP 2016-06, Vol.18 (22), p.15110-15117 |
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| Hauptverfasser: | , , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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