Predicting surface phase transitions from ab initio based statistical mechanics and thermodynamics

Phase Transitions

Volumn 80, Issue 4-5, 2007, Pages 311-332

  Stampfl, Catherine ^a  

^a UNIVERSITY OF SYDNEY   (Australia)

Author keywords

Chemisorption; Density functional theory; Surface oxides; Surface phase transition

Indexed keywords

CHEMISORPTION; CRYSTAL ATOMIC STRUCTURE; DENSITY FUNCTIONAL THEORY; FREE ENERGY; MONTE CARLO METHODS; QUANTUM THEORY; STATISTICAL MECHANICS; STOICHIOMETRY; SURFACE STRUCTURE; THERMODYNAMICS;

SURFACE ATOMIC GEOMETRIES; SURFACE OXIDES; SURFACE PHASE TRANSITION;

PHASE TRANSITIONS;

EID: 34249076999     PISSN: 01411594     EISSN: 10290338     Source Type: Journal    
DOI: 10.1080/01411590701228596     Document Type: Article

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