DFT + U Study of the Adsorption and Dissociation of Water on Clean, Defective, and Oxygen-Covered U3Si2{001}, {110}, and {111} Surfaces-Reference-Cited by-同舟云学术

DFT + U Study of the Adsorption and Dissociation of Water on Clean, Defective, and Oxygen-Covered U3Si2{001}, {110}, and {111} Surfaces

Published:2019-07-11 Issue:32 Volume:123 Page:19453-19467
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Jossou Ericmoore¹^ORCID,Malakkal Linu¹,Dzade Nelson Y.²^ORCID,Claisse Antoine³,Szpunar Barbara⁴,Szpunar Jerzy¹

Affiliation:

1. Department of Mechanical Engineering, College of Engineering, University of Saskatchewan, 57 Campus Drive, Saskatoon S7N 5A9, Saskatchewan, Canada

2. School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT, U.K.

3. Westinghouse Electric Sweden AB, SE-721 63 Västerås, Sweden

4. Department of Physics and Engineering Physics, College of Art and Science, University of Saskatchewan, 116 Science Place, Saskatoon S7N 5E2, Saskatchewan, Canada

Funder

Engineering and Physical Sciences Research Council

University of Saskatchewan

Natural Sciences and Engineering Research Council of Canada

Publisher

American Chemical Society (ACS)

Subject

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

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.9b03076

Reference55 articles.

1. Thermophysical properties of U3Si2 to 1773 K

2. U3Si2 behavior in H2O: Part I, flowing steam and the effect of hydrogen

3. U3Si2 behavior in H2O environments: Part II, pressurized water with controlled redox chemistry

4. Solution of hydrogen in accident tolerant fuel candidate material: U3Si2

5. A modified Embedded-Atom Method interatomic potential for uranium-silicide

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