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First principles study of gallium-cleaning for hydrogen-contaminated x-Al 2 O 3 (0001) surfaces

Yang, Rui; Rendell, Alistair


The use of gallium for cleaning hydrogen-contaminated Al2O 3 surfaces is explored by performing first principles density functional calculations of gallium adsorption on a hydrogen-contaminated Al-terminated α-Al2O3(0001) surface. Both physisorbed and ch

CollectionsANU Research Publications
Date published: 2013
Type: Journal article
Source: Journal of Computational Chemistry
DOI: 10.1002/jcc.23236


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