On the impact of solvation on a Au/TiO2 nanocatalyst in contact with water

Journal of Physical Chemistry Letters

Volumn 4, Issue 3, 2013, Pages 514-518

  Farnesi Camellone, Matteo ^a   Marx, Dominik ^a  

^a RUHR UNIVERSITY BOCHUM   (Germany)

Author keywords

ab initio molecular dynamics; catalysis; charge transfer; solid liquid interface

Indexed keywords

AB INITIO MOLECULAR DYNAMICS; AB INITIO SIMULATIONS; ACTIVE SITE; ACTIVE SURFACES; CHARGE STATE; COMPLEX INTERFACE; F CENTERS; GASPHASE; GOLD NANOCATALYST; LIQUID PHASE; LIQUID-SOLID INTERFACES; METAL CLUSTER; METAL PARTICLE; NANO-CATALYST; POLARIZATION EFFECT; SOLID-LIQUID INTERFACES; SOLVENT ENGINEERING; SURFACE REACTIVITY; TITANIA SUPPORTS;

CATALYSIS; CHARGE TRANSFER; GOLD COMPOUNDS; LIQUIDS; MOLECULAR DYNAMICS; SOLVATION; SOLVENTS; TITANIUM DIOXIDE;

PHASE INTERFACES;

EID: 84873443021     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz301891v     Document Type: Article

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