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Nanomaterials 2019, 9(3), 382; https://doi.org/10.3390/nano9030382

Prevention of Hydrogen Damage Using MoS2 Coating on Iron Surface

1
Beijing Advanced Innovation Center for Materials Genome Engineering, Corrosion and Protection Center, University of Science and Technology Beijing, Beijing 100083, China
2
Institute of Condensed Matter Physics, Linyi University, Linyi 276000, China
*
Authors to whom correspondence should be addressed.
Received: 20 February 2019 / Revised: 28 February 2019 / Accepted: 1 March 2019 / Published: 6 March 2019
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Abstract

The prevention of hydrogen penetration into steels can effectively protect steels from hydrogen damage. In this study, we investigated the effect of a monolayer MoS2 coating on hydrogen prevention using first-principles calculations. We found that monolayer MoS2 can effectively inhibit the dissociative adsorption of hydrogen molecules on an Fe(111) surface by forming a S–H bond. MoS2 coating acts as an energy barrier, interrupting hydrogen penetration. Furthermore, compared with the H-adsorbed Fe(111) film, the work function of the MoS2-coated film significantly increases under both equilibrium and strained conditions, indicating that the strained Fe(111) film with the MoS2 coating also becomes more corrosion resistant. The results reveal that MoS2 film is an effective coating to prevent hydrogen damage in steels. View Full-Text
Keywords: hydrogen adsorption; MoS2; protective barrier; strain; work function hydrogen adsorption; MoS2; protective barrier; strain; work function
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).
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Li, X.; Chen, L.; Liu, H.; Shi, C.; Wang, D.; Mi, Z.; Qiao, L. Prevention of Hydrogen Damage Using MoS2 Coating on Iron Surface. Nanomaterials 2019, 9, 382.

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