Insights into the function of silver as an oxidation catalyst by ab initio atomistic thermodynamics

Physical Review B - Condensed Matter and Materials Physics

Volumn 68, Issue 16, 2003, Pages

  Li, Wei Xue ^a   Stampfl, Catherine ^a,b   Scheffler, Matthias ^a  

^a FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT   (Germany)

^b UNIVERSITY OF SYDNEY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOLVED OXYGEN; EPOXIDE; ETHYLENE; FORMALDEHYDE; METHANOL; OXIDE; OXYGEN; OZONE; SILVER;

AB INITIO CALCULATION; ADSORPTION; ARTICLE; ATMOSPHERIC PRESSURE; CALCULATION; CATALYSIS; CATALYST; CHEMICAL ANALYSIS; CHEMICAL INTERACTION; CHEMICAL REACTION; CHEMICAL STRUCTURE; DEHYDROGENATION; DENSITY FUNCTIONAL THEORY; ENERGY; EPOXIDATION; HIGH TEMPERATURE; KINETICS; LOW TEMPERATURE; MOLECULAR STABILITY; OXIDATION; PREDICTION; PRESSURE; REACTION ANALYSIS; SURFACE PROPERTY; TECHNIQUE; TEMPERATURE DEPENDENCE; THERMODYNAMICS; THERMOSTABILITY; THICKNESS;

EID: 4944236430     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.68.165412     Document Type: Article

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