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Detail publikace
Alexander Kovalenko, Stanislav Záliš, Petr Ashcheulov, Ivo Kraus, Irena Kratochvílová, Jiří Pavluch
Originální název
Theoretical Study of Chromium and Nickel-Related Luminescence Centers in Molecular-Sized Nanodiamonds
Typ
článek v časopise ve Web of Science, Jimp
Jazyk
angličtina
Originální abstrakt
The present work is focused on explanation and description of recently discovered chromium and nickel-related luminescence centers in molecular-sized nanodiamond (ND) particles. Chromium and silicon-nickel luminescence centers can be leading candidates for future quantum devices thanks to their room temperature operation, photostability, narrow bandwidth and short lifetime. On the other hand such nanoparticles can be used for bio labelling. Here, we used Density Functional Theory (DFT) and time - dependent DFT (TD-DFT) techniques to investigate the defects’ geometrical parameters, absorption spectra, charge and spin density distribution - we show connections between chemical and optical properties of investigated defects in nanodiamond particles. By fundamental interpretation of measured chromium and silicon-nickel nanodiamond luminescence centers specificities we suggest proper technological steps towards nanodiamonds future applications.
Klíčová slova
molecular-sized nanodiamond; transition metals diamond impurities; Density Functional Theory; geometrical parameters
Autoři
Rok RIV
2015
Vydáno
1. 9. 2015
Nakladatel
Elsevier
Místo
Netherlands
ISSN
0925-9635
Periodikum
Diamond and Related Materials
Číslo
58
Stát
Nizozemsko
Strany od
122
Strany do
128
Strany počet
7
URL
http://www.sciencedirect.com/science/article/pii/S0925963515300066
BibTex
@article{BUT117457, author="Alexander {Kovalenko}", title="Theoretical Study of Chromium and Nickel-Related Luminescence Centers in Molecular-Sized Nanodiamonds", journal="Diamond and Related Materials", year="2015", number="58", pages="122--128", doi="10.1016/j.diamond.2015.07.004", issn="0925-9635", url="http://www.sciencedirect.com/science/article/pii/S0925963515300066" }