Work

The critical role of hydrogen on the stability of oxy-hydroxyl defect clusters in uranium oxide

Year: 2018

Type: article

Abstract: Despite considerable work applying ab initio techniques to model the role of defects on mechanical, structural and electronic properties of oxides, there has been little on the role of trapped hydrogen, despite it being virtually always present.

Source: Journal of Materials Chemistry A

DOI: 10.1039/c8ta02817f

Authors: Joseph M. Flitcroft, Marco Molinari, Nicholas A. Brincat, Nicholas R. Williams, Mark T. Storr, Geoffrey C. Allen, Stephen C. Parker

Institutions: University of Bath, University of Huddersfield, AWE Nuclear Security Technologies, University of Bristol

Language: English

Topic: Nuclear Materials and Properties

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: hybrid

Funders: University of Bath, Engineering and Physical Sciences Research Council

Awards: MATERIALS CHEMISTRY HIGH END COMPUTING CONSORTIUM, G1785385585, Computational Design and Engineering of Metal Oxide Nanozymes, G1841858939, Multiscale tuning of interfaces and surfaces for energy applications, Energy Materials: Computational Solutions, G8134774220

OpenAlex ID: W2805425852

FWCI: 1.05

Cites: 53

Cited by: 19

Related to: 10