Thermodynamic analysis of the interaction between metal vacancies and hydrogen in bulk Cu-Reference-Cited by-同舟云学术

Thermodynamic analysis of the interaction between metal vacancies and hydrogen in bulk Cu

Published:2023 Issue:13 Volume:25 Page:9168-9175
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Fotopoulos Vasileios¹^ORCID,Grau-Crespo Ricardo²^ORCID,Shluger Alexander L.¹³

Affiliation:

1. Department of Physics and Astronomy, University College London, Gower Street, London, WC1E 6BT, UK

2. Department of Chemistry, University of Reading, Whiteknights, Reading, RG6 6DX, UK

3. WPI-Advanced Institute for Materials Research (WPI-AIMR), Tohoku University, 2–1-1 Katahira, Aoba-ku, Sendai 980–8577, Japan

Abstract

Thermodynamic analysis is used to provide limits on the hydrogen-induced vacancy clustering in bulk Cu. Hydrogen molar fraction reaches the same order of magnitude as the vacancy molar fraction only at high pressure and temperature.

Funder

Engineering and Physical Sciences Research Council

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/D3CP00085K

Reference69 articles.

1. Y.Fukai , The Metal-Hydrogen System , Springer , 1993

2. Materials for hydrogen storage

3. Novel hydrogen storage materials: A review of lightweight complex hydrides

4. Copper hydride clusters in energy storage and conversion

5. A. R.Troiano , Trans. ASM , 1960 , 52 , 54–80

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