Signature of low-dimensional quasi-F centers in zirconium-rich electrides-Reference-Cited by-同舟云学术

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Signature of low-dimensional quasi-F centers in zirconium-rich electrides

Published:2024 Issue:15 Volume:11 Page:3613-3622
ISSN:2051-6347
Container-title:Materials Horizons
language:en
Short-container-title:Mater. Horiz.

Author:

Thapa Dinesh¹^ORCID,Sharma Shambhu Bhandari²^ORCID,Alfè Dario²³⁴^ORCID,Kilin Dmitri¹^ORCID,Kilina Svetlana¹^ORCID

Affiliation:

1. Department of Chemistry, and Biochemistry, North Dakota State University, ND 58105, USA

2. Department of Earth Sciences, University College London, Gower Street, London WC1E 6BT, UK

3. London Centre for Nanotechnology, University College London, London WC1E 6BT, UK

4. Dipartimento di Fisica Ettore Pancini, Università di Napoli Federico II, Monte S. Angelo, I-80126 Napoli, Italy

Abstract

The phase stability in newly predicted electride material, Zr2O has been investigated using first-principles density functional theory.

Funder

National Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/MH/D4MH00437J

Reference52 articles.

1. Advances in Materials and Applications of Inorganic Electrides

2. Density-functional description of electrides

3. Electrides: Ionic Salts with Electrons as the Anions

4. Dicalcium nitride as a two-dimensional electride with an anionic electron layer

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