Investigation of adsorption behavior of mercury on Au(111) from first principles

Environmental Science and Technology

Volumn 46, Issue 13, 2012, Pages 7260-7266

  Lim, Dong Hee ^a   Aboud, Shela ^a   Wilcox, Jennifer ^a  

^a STANFORD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION BEHAVIOR; ADSORPTION ENERGIES; ADSORPTION STRENGTH; AU SURFACES; AU(1 1 1 ); AU(111) SURFACES; COOPERATIVE EFFECTS; GENERALIZED GRADIENT APPROXIMATIONS; HG ATOMS; SURFACE VACANCIES;

ATOMS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; MERCURY (METAL); MERCURY COMPOUNDS; SULFUR; SULFUR DIOXIDE;

ADSORPTION;

GOLD; MERCURIC OXIDE; MERCURY; MERCURY SULFIDE; OXYGEN; SULFUR; SULFUR DIOXIDE;

ADSORPTION; GOLD; MERCURY (ELEMENT); OXYGEN; SULFUR; SULFUR DIOXIDE;

ADSORPTION KINETICS; ARTICLE; BINDING AFFINITY; CHEMICAL INTERACTION; DENSITY FUNCTIONAL THEORY; STRUCTURE ANALYSIS; SURFACE PROPERTY;

ADSORPTION; ENVIRONMENTAL POLLUTANTS; GOLD; MERCURY; MERCURY COMPOUNDS; MODELS, MOLECULAR; QUANTUM THEORY; SULFUR DIOXIDE; SURFACE PROPERTIES; THERMODYNAMICS;

EID: 84863525064     PISSN: 0013936X     EISSN: 15205851     Source Type: Journal    
DOI: 10.1021/es300046d     Document Type: Article

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