Ab initio simulations of the electrochemical activation of water

Molecular Simulation

Volumn 33, Issue 4-5, 2007, Pages 429-436

  Taylor, C D ^a   Janik, M J ^a   Neurock, M ^b   Kelly, R G ^b  

^a University of Virginia   (United States)

^b UNIVERSITY OF VIRGINIA   (United States)

Author keywords

Density functional theory; Electrochemistry; Metal surfaces; Water activation

Indexed keywords

ACTIVATION ANALYSIS; ADSORPTION; DENSITY FUNCTIONAL THEORY; ELECTROCHEMISTRY; WATER;

MACROSCOPIC BEHAVIOR; METAL SURFACES; POTENTIAL OF ZERO CHARGE (PZC); WATER ACTIVATION;

COMPUTER SIMULATION;

EID: 34248531972     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020601154207     Document Type: Conference Paper

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