Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Bukhvalov Danil | - |
dc.date.accessioned | 2017-09-01T05:22:42Z | - |
dc.date.available | 2017-09-01T05:22:42Z | - |
dc.date.issued | 2015-11 | - |
dc.identifier.citation | PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v. 17, NO 40, Page. 27210-27216 | en_US |
dc.identifier.issn | 1463-9076 | - |
dc.identifier.issn | 1463-9084 | - |
dc.identifier.uri | http://pubs.rsc.org/en/Content/ArticleLanding/2015/CP/C5CP05071E#!divAbstract | - |
dc.identifier.uri | http://hdl.handle.net/20.500.11754/28806 | - |
dc.description.abstract | First principles modeling of nitrogen- and boron-doped phosphorene demonstrates the tendency toward the formation of highly ordered structures. Nitrogen doping leads to the formation of -N-P-P-P-N- lines. Further transformation into -P-N-P-N- lines across the chains of phosphorene occurs with increasing band gap and increasing nitrogen concentration, which coincides with the decreasing chemical activity of N-doped phosphorene. In contrast to the case of nitrogen, boron atoms prefer to form -B-B- pairs with the further formation of -P-P-B-B-P-P- patterns along the phosphorene chains. The low concentration of boron dopants converts the phosphorene from a semiconductor into a semimetal with the simultaneous enhancement of its chemical activity. Co-doping of phosphorene by both boron and nitrogen starts from the formation of -B-N- pairs, which provides flat bands and further transformation of these pairs into hexagonal BN lines and ribbons across the phosphorene chains. | en_US |
dc.description.sponsorship | This work is supported by the Ministry of Education and Science of the Russian Federation, Project No. 16.1751.2014/K. | en_US |
dc.language.iso | en | en_US |
dc.publisher | ROYAL SOC CHEMISTRY | en_US |
dc.subject | BLACK PHOSPHORUS | en_US |
dc.subject | GRAPHENE | en_US |
dc.subject | CATALYSIS | en_US |
dc.title | The atomic and electronic structure of nitrogen- and boron-doped phosphorene | en_US |
dc.type | Article | en_US |
dc.relation.no | 40 | - |
dc.relation.volume | 17 | - |
dc.identifier.doi | 10.1039/c5cp05071e | - |
dc.relation.page | 27210-27216 | - |
dc.relation.journal | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | - |
dc.contributor.googleauthor | Boukhvalov, Danil W. | - |
dc.relation.code | 2015000061 | - |
dc.sector.campus | S | - |
dc.sector.daehak | COLLEGE OF NATURAL SCIENCES[S] | - |
dc.sector.department | DEPARTMENT OF CHEMISTRY | - |
dc.identifier.pid | danil | - |
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