Water Adsorption on AnO2 {111}, {110}, and {100} Surfaces (An = U and Pu): A Density Functional Theory + U Study-Reference-Cited by-同舟云学术

Water Adsorption on AnO2 {111}, {110}, and {100} Surfaces (An = U and Pu): A Density Functional Theory + U Study

Published:2017-01-11 Issue:3 Volume:121 Page:1675-1682
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Tegner Bengt E.¹,Molinari Marco²³,Kerridge Andrew⁴^ORCID,Parker Stephen C.²,Kaltsoyannis Nikolas¹^ORCID

Affiliation:

1. School of Chemistry, The University of Manchester, Oxford Road, Manchester M13 9PL, United Kingdom

2. Department of Chemistry, University of Bath, Claverton Down, Bath BA2 7AY, United Kingdom

3. Department of Chemistry, University of Huddersfield, Queensgate, Huddersfield HD1 3DH, United Kingdom

4. Department of Chemistry, Lancaster University, Bailrigg, Lancaster LA1 4YB, United Kingdom

Funder

Engineering and Physical Sciences Research Council

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.6b10986

Reference36 articles.

1. International Panel on Fissile Materials (IPFM). Global Fissile Materials Report 2015;IPFM:Princeton, NJ, 2015; http://fissilematerials.org/library/gfmr15.pdf(accessed Dec 14, 2016) .

2. Adsorption of water on plutonium dioxide

3. Thermal desorption study of the surface interactions between water and plutonium dioxide

4. A critical examination of the thermodynamics of water adsorption on actinide oxide surfaces

5. Corrosion of UO2 and ThO2: A quantum-mechanical investigation

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