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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Hong, Minki | - |
| dc.contributor.author | LEE, DONGHWA | - |
| dc.contributor.author | Phillpot, Simon R. | - |
| dc.contributor.author | Sinnott, Susan B. | - |
| dc.date.accessioned | 2019-04-07T20:01:18Z | - |
| dc.date.available | 2019-04-07T20:01:18Z | - |
| dc.date.created | 2019-03-15 | - |
| dc.date.issued | 2014-01-09 | - |
| dc.identifier.issn | 1932-7447 | - |
| dc.identifier.uri | https://oasis.postech.ac.kr/handle/2014.oak/96332 | - |
| dc.description.abstract | The adsorption of O-2 on the TiN(001) stepped surface and the consequent formation of surface oxide have been characterized using first-principles calculations. The adsorption and dissociation of O-2 on both the flat and the stepped surface are predicted to be spontaneous. Compared with the flat surface, however, the dissociation of O-2 on the stepped surface is predicted to be more exothermic. A formation mechanism for TiO2 at the step is proposed that includes a nitrogen exit channel that enables further oxidation. | - |
| dc.language | English | - |
| dc.publisher | AMER CHEMICAL SOC | - |
| dc.relation.isPartOf | Journal of Physical Chemistry C | - |
| dc.title | A Mechanism for TiO2 Formation on Stepped TiN (001) from First-Principles Calculations | - |
| dc.type | Article | - |
| dc.identifier.doi | 10.1021/jp409494q | - |
| dc.type.rims | ART | - |
| dc.identifier.bibliographicCitation | Journal of Physical Chemistry C, v.118, no.1, pp.384 - 388 | - |
| dc.identifier.wosid | 000329678200042 | - |
| dc.citation.endPage | 388 | - |
| dc.citation.number | 1 | - |
| dc.citation.startPage | 384 | - |
| dc.citation.title | Journal of Physical Chemistry C | - |
| dc.citation.volume | 118 | - |
| dc.contributor.affiliatedAuthor | LEE, DONGHWA | - |
| dc.identifier.scopusid | 2-s2.0-84892596650 | - |
| dc.description.journalClass | 1 | - |
| dc.description.journalClass | 1 | - |
| dc.description.isOpenAccess | N | - |
| dc.type.docType | Article | - |
| dc.subject.keywordPlus | TITANIUM NITRIDE | - |
| dc.subject.keywordPlus | MOLECULAR PRECURSORS | - |
| dc.subject.keywordPlus | INTRINSIC DEFECTS | - |
| dc.subject.keywordPlus | OXIDATION | - |
| dc.subject.keywordPlus | ADSORPTION | - |
| dc.subject.keywordPlus | SURFACE | - |
| dc.subject.keywordPlus | DISSOCIATION | - |
| dc.subject.keywordPlus | OXYGEN | - |
| dc.subject.keywordPlus | SITES | - |
| dc.subject.keywordPlus | O-2 | - |
| dc.relation.journalWebOfScienceCategory | Chemistry, Physical | - |
| dc.relation.journalWebOfScienceCategory | Nanoscience & Nanotechnology | - |
| dc.relation.journalWebOfScienceCategory | Materials Science, Multidisciplinary | - |
| dc.description.journalRegisteredClass | scie | - |
| dc.description.journalRegisteredClass | scopus | - |
| dc.relation.journalResearchArea | Chemistry | - |
| dc.relation.journalResearchArea | Science & Technology - Other Topics | - |
| dc.relation.journalResearchArea | Materials Science | - |
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Related Researcher
- 이동화LEE, DONGHWA
- Dept of Materials Science & Enginrg