The DOI matches its Crossref record; 49 of the 49 references it cites were found in a registry or an index.
Surface oxidation energetics and kinetics on MoS2 monolayer
Abstract
In this work, surface oxidation of monolayer MoS2 (one of the representative semiconductors in transition-metal dichalcogenides) has been investigated using density functional theory method. Oxygen interaction with MoS2 shows that, thermodynamically, the surface tends to be oxidized. However, the dissociative absorption of molecular oxygen on the MoS2 surface is kinetically limited due to the large energy barrier at low temperature. This finding elucidates the air stability of MoS2 surface in the atmosphere. Furthermore, the presence of defects significantly alters the surface stability and adsorption mechanisms. The electronic properties of the oxidized surface have been examined as a function of oxygen adsorption and coverage as well as substitutional impurities. Our results on energetics and kinetics of oxygen interaction with the MoS2 monolayer are useful for the understanding of surface oxidation, air stability, and electronic properties of transition-metal dichalcogenides at the atomic scale.
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Cited by
Aging of Transition Metal Dichalcogenide Monolayers
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Thermal stability of WS2 flakes and gas sensing properties of WS2/WO3 composite to H2, NH3 and NO2
Perrozzi, F., Emamjomeh, S. M., Paolucci, V., Taglieri, G., Ottaviano, L., & Cantalini, C. (2017) · Sensors and Actuators B: Chemical · doi:10.1016/j.snb.2016.12.069 · Cited by 267
Li, Q., Zhou, Q., Shi, L., Chen, Q., & Wang, J. (2019) · Journal of Materials Chemistry A · doi:10.1039/c8ta10306b · Cited by 266
Metadata
- Authors
- KC, S., Longo, R. C., Wallace, R. M., & Cho, K.
- Venue
- Journal of Applied Physics
- Publisher
- AIP Publishing
- Published
- 2015-04-01
- Volume
- 117
- Issue
- 13
- ISSN
- 0021-8979 (ISSN-L)
- 1089-7550
- OpenAlex
- W2076727790
- Cited by
- 262
- References
- 49
- FWCI
- 8.79
- Type
- journal article
- Language
- en
- Open access
- closed
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