The NV−⋯N+ charged pair in diamond: a quantum-mechanical investigation-Reference-Cited by-同舟云学术

The NV−⋯N+ charged pair in diamond: a quantum-mechanical investigation

Published:2021 Issue:34 Volume:23 Page:18724-18733
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ferrari Anna Maria¹^ORCID,El-Kelany Khaled E.²^ORCID,Gentile Francesco Silvio³^ORCID,D’Amore Maddalena¹^ORCID,Dovesi Roberto¹

Affiliation:

1. Dipartimento di Chimica, Università di Torino and NIS (Nanostructured Interfaces and Surfaces) Centre, Via P. Giuria 5, 10125 Torino, Italy

2. Institute of Nanoscience and Nanotechnology, Kafrelsheikh University, 33516 Kafrelskiekh, Egypt

3. Department of Chemical Sciences, University of Napoli Federico II, Complesso Universitario di Monte Sant’Angelo – Via Cintia, 21 – 80126 – Napoli, Italy

Abstract

The NV−⋯N+ charged pair in diamond has been investigated by using a Gaussian-type basis set, the B3LYP functional, the supercell scheme and the CRYSTAL code.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP02363B

Reference80 articles.

1. Fabrication of diamond thin-film thermistors for high-temperature applications

2. CVD diamond-based semi-transparent beam-position monitors for synchrotron beamlines: preliminary studies and device developments at CEA/Saclay

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