Evidence of vacancy ordered structures in PuO2−x and AmO2−x from first-principles calculations-Reference-Cited by-同舟云学术

Evidence of vacancy ordered structures in PuO_2−x and AmO_2−x from first-principles calculations

Published:2023 Issue:20 Volume:25 Page:14117-14125
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ghosh P. S.¹²^ORCID,Arya A.¹²

Affiliation:

1. Glass and Advanced Materials Division, Bhabha Atomic Research Centre, Mumbai 400 085, India

2. Homi Bhabha National Institute, Anushaktinagar, Mumbai 400 094, India

Abstract

A combination of first-principles calculations and cluster expansion method is used to study ordering of oxygen vacancies in PuO2−x and AmO2−x.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP00971H

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