First-principles study of small aluminum clusters: Oxygen adsorptions, oxidation and phase stability

Journal of Physics and Chemistry of Solids

Volumn 71, Issue 2, 2010, Pages 140-144

  Wang, Ligen ^a   Kuklja, Maija M ^a  

^a UNIVERSITY OF MARYLAND   (United States)

Author keywords

A. Metal; A. Nanostructures; C. Ab initio calculations; D. Thermodynamic properties

Indexed keywords

A-DENSITY; A. METAL; AB INITIO CALCULATIONS; ADSORPTION PHASIS; ALUMINUM CLUSTERS; ATOMISTIC THERMODYNAMICS; C. AB INITIO CALCULATIONS; CLUSTER SURFACES; D. THERMODYNAMIC PROPERTIES; EFFECT OF TEMPERATURE; ENERGETIC MATERIAL; FIRST-PRINCIPLES STUDY; NANOMETALS; OXYGEN ADSORPTION; OXYGEN PRESSURE; RELATIVE STABILITIES; STRUCTURE AND PROPERTIES; THEORETICAL BASIS; THERMODYNAMICALLY STABLE;

ADSORPTION; ALUMINUM; CHEMICAL STABILITY; DENSITY FUNCTIONAL THEORY; NANOSTRUCTURES; OXYGEN; PHASE DIAGRAMS; PRESSURE EFFECTS; THERMODYNAMIC PROPERTIES;

PHASE STABILITY;

EID: 74149083046     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpcs.2009.07.021     Document Type: Article

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