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Park, Noejung
Computational Physics & Electronic Structure Lab
Research Interests
  • Electronic structure calculation, computational physics, computational material science


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

DC Field Value Language Kim, Byung Hoon ko Park, Min ko Lee, Minoh ko Baek, Seung Jae ko Jeong, Hu Young ko Choi, Min ko Chang, Sung Jin ko Hong, Won G. ko Kim, Tae Kyung ko Moon, Hoi Ri ko Park, Yung Woo ko Park, Noejung ko Jun, Yongseok ko 2014-04-09T08:55:15Z - 2013-10-14 ko 2013-10 ko
dc.identifier.citation RSC ADVANCES, v.3, no.40, pp.18424 - 18429 ko
dc.identifier.issn 2046-2069 ko
dc.identifier.uri -
dc.description.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 MoS 2. 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. ko
dc.description.statementofresponsibility close -
dc.language 영어 ko
dc.publisher ROYAL SOC CHEMISTRY ko
dc.title Effect of sulphur vacancy on geometric and electronic structure of MoS2 induced by molecular hydrogen treatment at room temperature ko
dc.type ARTICLE ko
dc.identifier.scopusid 2-s2.0-84884860642 ko
dc.identifier.wosid 000325006600031 ko
dc.type.rims ART ko
dc.description.wostc 2 *
dc.description.scopustc 0 * 2015-02-28 * 2014-08-18 *
dc.identifier.doi 10.1039/c3ra42072h ko
dc.identifier.url ko
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