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Issue 40, 2013
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Effect of sulphur vacancy on geometric and electronic structure of MoS2 induced by molecular hydrogen treatment at room temperature

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Abstract

Investigations into the interaction between molecular hydrogen and molybdenum disulphide have been in increasing demand to improve the understanding of the hydrodesulphurisation process, especially the creation of sulphur vacancies which result in coordinatively unsaturated sites in MoS2. Here we present comprehensive studies of the structural and electronic modulation caused by exposure of MoS2 to H2 over a low temperature range, which may be helpful for industrial applications. Detail investigations were conducted with Raman spectroscopy, high resolution transmission electron microscopy (HRTEM), and electrical transport properties as a function of H2 gas pressure up to 24 bar from 295 K to 350 K. Upon exposure to H2, we observed bond-softening using Raman spectroscopy, a decrease in d-spacing from the TEM results, and an increase in conductance, all of which are consistent with the first-principles calculations. The results demonstrate the formation of sulphur vacancies even under low H2 pressure at low temperature.

Graphical abstract: Effect of sulphur vacancy on geometric and electronic structure of MoS2 induced by molecular hydrogen treatment at room temperature

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Publication details

The article was received on 26 Apr 2013, accepted on 02 Aug 2013 and first published on 05 Aug 2013


Article type: Paper
DOI: 10.1039/C3RA42072H
Citation: RSC Adv., 2013,3, 18424-18429
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    Effect of sulphur vacancy on geometric and electronic structure of MoS2 induced by molecular hydrogen treatment at room temperature

    B. H. Kim, M. Park, M. Lee, S. J. Baek, H. Y. Jeong, M. Choi, S. J. Chang, W. G. Hong, T. K. Kim, H. R. Moon, Y. W. Park, N. Park and Y. Jun, RSC Adv., 2013, 3, 18424
    DOI: 10.1039/C3RA42072H

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