The prevention of hydrogen penetration into steels can effectively protect steels from hydrogen damage. In this study, we investigated the effect of a monolayer MoS 2 coating on hydrogen prevention using first-principles calculations. We found that monolayer MoS 2 can effectively inhibit the dissociative adsorption of hydrogen molecules on an Fe(111) surface by forming a S–H bond. MoS 2 coating acts as an energy barrier, interrupting hydrogen penetration. Furthermore, compared with the H-adsorbed Fe(111) film, the work function of the MoS 2 -coated film significantly increases under both equilibrium and strained conditions, indicating that the strained Fe(111) film with the MoS 2 coating also becomes more corrosion resistant. The results reveal that MoS 2 film is an effective coating to prevent hydrogen damage in steels.
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CITATION STYLE
Li, X., Chen, L., Liu, H., Shi, C., Wang, D., Mi, Z., & Qiao, L. (2019). Prevention of hydrogen damage using MoS 2 coating on iron surface. Nanomaterials, 9(3). https://doi.org/10.3390/nano9030382