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Please use this identifier to cite or link to this item: http://hdl.handle.net/1942/14343

Title: Parameters affecting the luminescence of nanodiamond particles: Quantum chemical calculations
Authors: Kovalenko, A.
Petrakova, V.
Ashcheulov, P.
Zalis, S.
NESLADEK, Milos
Kraus, I.
Kratochvilova, I.
Issue Date: 2012
Publisher: WILEY-V C H VERLAG GMBH
Citation: PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE, 209 (9), p. 1769-1773
Abstract: In this article, theoretical interpretation and prediction of the optical properties of nanodiamond (ND) particles', containing various luminescence centers, was made. Particularly, nitrogen, and chromium atoms embedded into the diamond crystal lattice were modeled. In the case of nitrogen centers containing ND particles, the effect of various surface terminations (hydrogen and/or oxygen, fluorine) was also studied. To get a qualitative better understanding of the complicated and specific process of ND particles, luminescence using density functional theory, were modeled processes and states influencing the luminescence of ND particles.
Notes: [Kovalenko, A.; Petrakova, V.; Ashcheulov, P.; Kratochvilova, I.] Acad Sci Czech Republic, Inst Phys, Vvi, Prague 18221 8, Czech Republic. [Kovalenko, A.; Ashcheulov, P.; Kraus, I.] Czech Tech Univ, Fac Nucl Phys & Phys Engn, Prague 16000 6, Czech Republic. [Petrakova, V.] Czech Tech Univ, Fac Biomed Engn, Kladno 27201, Czech Republic. [Zalis, S.] AS CR, J Heyrovsky Inst Phys Chem, Vvi, Prague 18223 8, Czech Republic. [Nesladek, M.] Hasselt Univ, Inst Mat Res IMO, B-3590 Diepenbeek, Belgium. kovalen@fzu.cz
URI: http://hdl.handle.net/1942/14343
DOI: 10.1002/pssa.201200015
ISI #: 000308942100024
ISSN: 1862-6300
Category: A1
Type: Journal Contribution
Validation: ecoom, 2013
Appears in Collections: Research publications

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