Publication detail

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

Original Title

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

Type

journal article in Web of Science

Language

English

Original Abstract

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.

Keywords

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

Authors

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

RIV year

2015

Released

1. 9. 2015

Publisher

Elsevier

Location

Netherlands

ISBN

0925-9635

Periodical

Diamond and Related Materials

Number

58

State

Kingdom of the Netherlands

Pages from

122

Pages to

128

Pages count

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"
}