The effect of charged defects on the stability of implanted helium and yttrium in cubic ZrO2: a first-principles study-Reference-Cited by-同舟云学术

The effect of charged defects on the stability of implanted helium and yttrium in cubic ZrO2: a first-principles study

Published:2021 Issue:45 Volume:23 Page:25727-25735
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Wang Yinlong¹²³,Wang Canglong²³⁴^ORCID,He Wenhao⁵,Meng Zhaocang²³⁴,Yan Shan¹,Li Yuhong¹,Yang Lei²³⁴

Affiliation:

1. School of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000, China

2. Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000, China

3. Advanced Energy Science and Technology Guangdong Laboratory, Huizhou 516000, China

4. School of Nuclear Science and Technology, University of Chinese Academy of Sciences, Beijing 100049, China

5. Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000, China

Abstract

The effect of charged defects on the stability of He and Y atoms has been investigated. A Y atom preferentially occupies a Zr vacancy and has a charge state of −1. A He atom preferentially occupies the site of VZr0 in both ZrO2 and YSZ.

Funder

National Natural Science Foundation of China

Chinese Academy of Sciences

Guangdong Science and Technology Department

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/D1CP01983J

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