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Importance of Interfacial Structures in the Catalytic Effect of Transition Metals on Diamond Growth
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Yang, Jeong Woo | - |
dc.contributor.author | Park, Jong Hwan | - |
dc.contributor.author | Byun, Min Gyo | - |
dc.contributor.author | Hwang, Nong Moon | - |
dc.contributor.author | Park, Jinwoo | - |
dc.contributor.author | Yu, Byung Deok | - |
dc.date.accessioned | 2022-06-29T00:41:20Z | - |
dc.date.available | 2022-06-29T00:41:20Z | - |
dc.date.created | 2022-05-25 | - |
dc.date.issued | 2021-10 | - |
dc.identifier.citation | ACS Omega, Vol.6 No.42, pp.28432-28440 | - |
dc.identifier.issn | 2470-1343 | - |
dc.identifier.uri | https://hdl.handle.net/10371/184205 | - |
dc.description.abstract | Here, using ab initio calculations, we investigated the interaction between transition metals (M) and diamond C(111) surfaces. As a physical parameter describing the catalytic effect of a transition metal on diamond growth, we considered interfacial energy difference, Delta E-int, between 1 x 1 and 2 x 1 models of M/C(111). The results showed that the transition-metal elements in the middle of the periodic table (groups 4-10) favor a 1 x 1 M/C(111) structure with diamond bulk-like interfaces, while the elements at the sides of the periodic table (groups 3, 11, and 12) favor a 2 x 1 M/C(111) structure with the 2 x 1 Pandey chain structure of C(111) underneath M. In addition, calculations of MC carbide formation for early transition metals (groups 3-6) showed that they have a tendency to form MC rather than M/C(111), which explains their low efficiency as catalysts for diamond growth. Further analysis suggests that Delta E-int, could serve as another parameter (catalytic descriptor) for describing catalytic diamond growth in addition to the conventional parameter of the melting temperature of M. | - |
dc.language | 영어 | - |
dc.publisher | American Chemical Society | - |
dc.title | Importance of Interfacial Structures in the Catalytic Effect of Transition Metals on Diamond Growth | - |
dc.type | Article | - |
dc.identifier.doi | 10.1021/acsomega.1c05005 | - |
dc.citation.journaltitle | ACS Omega | - |
dc.identifier.wosid | 000711728500081 | - |
dc.identifier.scopusid | 2-s2.0-85118144694 | - |
dc.citation.endpage | 28440 | - |
dc.citation.number | 42 | - |
dc.citation.startpage | 28432 | - |
dc.citation.volume | 6 | - |
dc.description.isOpenAccess | N | - |
dc.contributor.affiliatedAuthor | Hwang, Nong Moon | - |
dc.type.docType | Article | - |
dc.description.journalClass | 1 | - |
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