Parameters affecting the luminescence of nanodiamond particles:Quantum chemical calculations

0382885 - FZÚ 2013 RIV DE eng J - Journal Article
Kovalenko, Alexander - Petráková, Vladimíra - Ashcheulov, Petr - Záliš, Stanislav - Nesladek, M. - Kraus, I. - Kratochvílová, Irena
Parameters affecting the luminescence of nanodiamond particles:Quantum chemical calculations.
Physica Status Solidi A. Roč. 209, č. 9 (2012), s. 1769-1773. ISSN 1862-6300. E-ISSN 1862-6319
R&D Projects: GA TA ČR TA01011165; GA ČR(CZ) GAP304/10/1951
Institutional research plan: CEZ:AV0Z10100520; CEZ:AV0Z40400503
Keywords : defects * luminescence * nanodiamonds * surface termination
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 1.469, year: 2012
http://onlinelibrary.wiley.com/journal/10.1002/(ISSN)1862-6319/earlyview

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.
Permanent Link: http://hdl.handle.net/11104/0212984