The energetics of carbonated PuO2 surfaces affects nanoparticle morphology: a DFT+U study-Reference-Cited by-同舟云学术

The energetics of carbonated PuO2 surfaces affects nanoparticle morphology: a DFT+U study

Published:2020 Issue:15 Volume:22 Page:7728-7737
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Moxon Samuel¹²³⁴^ORCID,Symington Adam R.⁵⁶⁷⁴^ORCID,Tse Joshua S.¹²³⁴^ORCID,Dawson James¹²³⁴^ORCID,Flitcroft Joseph M.¹²³⁴^ORCID,Parker Stephen C.⁵⁶⁷⁴^ORCID,Cooke David J.¹²³⁴^ORCID,Harker Robert M.⁸⁹⁴^ORCID,Molinari Marco¹²³⁴^ORCID

Affiliation:

1. Department of Chemical Sciences

2. University of Huddersfield

3. Huddersfield

4. UK

5. Department of Chemistry

6. University of Bath

7. Bath

8. AWE Aldermaston

9. Reading

Abstract

DFT modelling has revealed that the adsorption of CO₂ on PuO₂ surfaces has an impact on the material's nanoparticle morphology.

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/2020/CP/D0CP00021C

Reference74 articles.

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3. Surface chemistry of Pu oxides

4. Stockholm International Peace Research Institute , SIPRI Yearbook 2019: Armaments, Disarmament and International Security , Oxford University Press , 2019

5. Long-term storage of spent nuclear fuel

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