Self-consistent tight binding molecular dynamics study of TiO2 nanoclusters in water

Journal of Electroanalytical Chemistry

Volumn 607, Issue 1-2, 2007, Pages 147-157

  Erdin, Serkan ^a,b   Lin, You ^c   Halley, J W ^d   Zapol, Peter ^e   Redfern, Paul ^e   Curtiss, Larry ^e  

^a NORTHERN ILLINOIS UNIVERSITY   (United States)

^b ARGONNE NATIONAL LABORATORY   (United States)

^c UNIVERSITY OF SOUTH FLORIDA   (United States)

^d University of Minnesota   (United States)

^e ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

Anatase; Nanocrystals; Rutile; Simulation; Water

Indexed keywords

COMPUTER SIMULATION; DISSOCIATION; NANOCRYSTALS; TITANIUM DIOXIDE;

DISSOCIABLE WATER; NANOPARTICLE SURFACE; RUTILE NANOCLUSTERS; WATER MOLECULES;

MOLECULAR DYNAMICS;

EID: 34547446162     PISSN: 15726657     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jelechem.2007.03.016     Document Type: Article

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