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- Publisher Website: 10.1039/c5ra24265g
- Scopus: eid_2-s2.0-84957921840
- WOS: WOS:000369658100030
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Article: Nitrogen mediated electronic structure of the Ti(0001) surface
Title | Nitrogen mediated electronic structure of the Ti(0001) surface |
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Authors | |
Issue Date | 2016 |
Citation | RSC Advances, 2016, v. 6, n. 18, p. 14651-14657 How to Cite? |
Abstract | The unusual ability of nitrogen in functionalizing transition metals has tremendous implications for the nitride compounds for chemical, electronic, optical, mechanical, and tribological applications yet a consistent insight into the underlying mechanism remains yet a challenge. A combination of density function theory and photoelectron spectroscopy revealed that the nitrogen atom prefers tetrahedron bonding geometry in the Ti(0001) surface, which derives four additional valence density-of-states:bonding electron pairs, nonbonding lone pairs, electronic holes, and antibonding dipoles. Dipole formation modulates the work function, electron-hole generation opens the bandgap and nonbonding interaction ensures the superlubricity of the N-Ti(0001) skin. |
Persistent Identifier | http://hdl.handle.net/10722/335789 |
ISI Accession Number ID |
DC Field | Value | Language |
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dc.contributor.author | Li, Lei | - |
dc.contributor.author | Meng, Fan Ling | - |
dc.contributor.author | Hu, Xiao Ying | - |
dc.contributor.author | Qiao, Liang | - |
dc.contributor.author | Sun, Chang Q. | - |
dc.contributor.author | Tian, Hong Wei | - |
dc.contributor.author | Zheng, Wei Tao | - |
dc.date.accessioned | 2023-12-28T08:48:46Z | - |
dc.date.available | 2023-12-28T08:48:46Z | - |
dc.date.issued | 2016 | - |
dc.identifier.citation | RSC Advances, 2016, v. 6, n. 18, p. 14651-14657 | - |
dc.identifier.uri | http://hdl.handle.net/10722/335789 | - |
dc.description.abstract | The unusual ability of nitrogen in functionalizing transition metals has tremendous implications for the nitride compounds for chemical, electronic, optical, mechanical, and tribological applications yet a consistent insight into the underlying mechanism remains yet a challenge. A combination of density function theory and photoelectron spectroscopy revealed that the nitrogen atom prefers tetrahedron bonding geometry in the Ti(0001) surface, which derives four additional valence density-of-states:bonding electron pairs, nonbonding lone pairs, electronic holes, and antibonding dipoles. Dipole formation modulates the work function, electron-hole generation opens the bandgap and nonbonding interaction ensures the superlubricity of the N-Ti(0001) skin. | - |
dc.language | eng | - |
dc.relation.ispartof | RSC Advances | - |
dc.title | Nitrogen mediated electronic structure of the Ti(0001) surface | - |
dc.type | Article | - |
dc.description.nature | link_to_subscribed_fulltext | - |
dc.identifier.doi | 10.1039/c5ra24265g | - |
dc.identifier.scopus | eid_2-s2.0-84957921840 | - |
dc.identifier.volume | 6 | - |
dc.identifier.issue | 18 | - |
dc.identifier.spage | 14651 | - |
dc.identifier.epage | 14657 | - |
dc.identifier.eissn | 2046-2069 | - |
dc.identifier.isi | WOS:000369658100030 | - |