Mechanisms of Postsynthesis Doping of Boron Nitride Nanostructures with Carbon from First-Principles Simulations
Loading...
Journal Title
Journal ISSN
Volume Title
School of Science |
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Unless otherwise stated, all rights belong to the author. You may download, display and print this publication for Your own personal use. Commercial use is prohibited.
Date
2011
Major/Subject
Mcode
Degree programme
Language
en
Pages
035501/1-4
Series
Physical Review Letters, Volume 107, Issue 3
Abstract
Electron-beam-mediated postsynthesis doping of boron-nitride nanostructures with carbon atoms [Nature (London) 464, 571 (2010); J. Am. Chem. Soc. 132, 13 692 (2010)] was recently demonstrated, thus opening a new way to control the electronic properties of these systems. Using density-functional theory static and dynamic calculations, we show that the substitution process is governed not only by the response of such systems to irradiation, but also by the energetics of the atomic configurations, especially when the system is electrically charged. We suggest using spatially localized electron irradiation for making carbon islands and ribbons embedded into BN sheets. We further study the magnetic and electronic properties of such hybrid nanostructures and show that triangular carbon islands embedded into BN sheets possess magnetic moments, which can be switched on and off by electrically charging the structure.Description
Keywords
boron nitride, nanostructures, carbon atoms
Other note
Citation
Berseneva, Natalia & Krasheninnikov, Arkady V. & Nieminen, Risto M. 2011. Mechanisms of Postsynthesis Doping of Boron Nitride Nanostructures with Carbon from First-Principles Simulations. Physical Review Letters. Volume 107, Issue 3. 035501/1-4. ISSN 0031-9007 (printed). DOI: 10.1103/physrevlett.107.035501.
