Detail publikačního výsledku

Theoretical Study of Chromium and Nickel-Related Luminescence Centers in Molecular-Sized Nanodiamonds

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

Anglický název

Theoretical Study of Chromium and Nickel-Related Luminescence Centers in Molecular-Sized Nanodiamonds

Druh

Článek WoS

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.

Anglický 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

Klíčová slova v angličtině

molecular-sized nanodiamond; transition metals diamond impurities; Density Functional Theory; geometrical parameters

Autoři

Alexander Kovalenko, Stanislav Záliš, Petr Ashcheulov, Ivo Kraus, Irena Kratochvílová, Jiří Pavluch

Rok RIV

2016

Vydáno

01.09.2015

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"
}