Hydroxylation-induced surface stability of AnO2 (An = U, Np, Pu) from first-principles

Surface Science

Volumn 608, Issue , 2013, Pages 180-187

  Rak Zs ^a   Ewing, R C ^a,b   Becker, U ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

^b The Department of Civil and Environmental Engineering   (United States)

Author keywords

Actinide dioxide surfaces; Density functional theory; Surface energy; Surface stability; Water adsorption

Indexed keywords

ADSORPTION ENERGIES; CLEAN SURFACES; FIRST PRINCIPLES METHOD; GEOMETRIC RELAXATION; HYDROXYLATED SURFACES; MONOLAYER COVERAGE; RELATIVE STABILITIES; SURFACE STABILITY; WATER ADSORPTION;

ADSORPTION; DENSITY FUNCTIONAL THEORY; HYDROXYLATION; INTERFACIAL ENERGY; MONOLAYERS; NEPTUNIUM;

PLUTONIUM;

EID: 84870423082     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2012.10.002     Document Type: Article

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