dc.contributor |
Háskólinn í Reykjavík |
dc.contributor |
Reykjavik University |
dc.contributor.author |
Visan, Camelia |
dc.contributor.author |
Anghel, D. V. |
dc.contributor.author |
Nemnes, George Alexandru |
dc.contributor.author |
Manolescu, Andrei |
dc.date.accessioned |
2018-10-02T14:20:45Z |
dc.date.available |
2018-10-02T14:20:45Z |
dc.date.issued |
2016-08 |
dc.identifier.citation |
Nemnes, G. A., Visan, C., Anghel, D. V., & Manolescu, A. (2016). Molecular dynamics of halogenated graphene: Hexagonal boron nitride nanoribbons. Journal of Physics: Conference Series, 738(1), 012027. doi.org/10.1088/1742-6596/738/1/012027 |
dc.identifier.issn |
1742-6588 |
dc.identifier.issn |
1742-6596 (eISSN) |
dc.identifier.uri |
https://hdl.handle.net/20.500.11815/862 |
dc.description.abstract |
The hybrid graphene - hexagonal boron nitride (G-hBN) systems offer new routes in the design of nanoscale electronic devices. Using ab initio density functional theory calculations we investigate the dynamics of zig-zag nanoribbons a few interatomic distances wide. Several structures are analyzed, namely pristine graphene, hBN and G-hBN systems. By passivating the nanoribbon edges with hydrogen and different halogen atoms, one may tune the electronic and mechanical properties, like the band gap energies and the natural frequencies of vibration. |
dc.description.sponsorship |
This work was supported by the National Authority for Scientific Research and Innovation
(ANCSI) under grant PN16420202. |
dc.format.extent |
012027 |
dc.language.iso |
en |
dc.publisher |
IOP Publishing |
dc.relation.ispartofseries |
Journal of Physics: Conference Series;738(1) |
dc.rights |
info:eu-repo/semantics/openAccess |
dc.subject |
Condensed matter |
dc.subject |
Materials science |
dc.subject |
Physics |
dc.subject |
Eðlisfræði |
dc.subject |
Efnisvísindi |
dc.subject |
Þéttefnisfræði |
dc.title |
Molecular dynamics of halogenated graphene - hexagonal boron nitride nanoribbons |
dc.type |
info:eu-repo/semantics/article |
dcterms.license |
Content from this work may be used under the terms of the Creative Commons Attribution 3.0 licence. Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI. |
dc.description.version |
Peer reviewed |
dc.identifier.journal |
Journal of Physics: Conference Series |
dc.identifier.doi |
10.1088/1742-6596/738/1/012027 |
dc.contributor.school |
Tækni- og verkfræðideild (HR) |
dc.contributor.school |
School of Science and Engineering (RU) |