Dynamics of the photogenerated hole at the rutile TiO2(110)/water interface: A nonadiabatic simulation study

Journal of Physical Chemistry C

Volumn 118, Issue 47, 2014, Pages 27393-27401

  Tritsaris, Georgios A ^a   Vinichenko, Dmitry ^b   Kolesov, Grigory ^a   Friend, Cynthia M ^b   Kaxiras, Efthimios ^a  

^a HARVARD UNIVERSITY   (United States)

^b HARVARD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; COMPUTATION THEORY; DEHYDROGENATION; HYDROGEN PRODUCTION; MOLECULES; OXIDE MINERALS; PHOTOELECTROCHEMICAL CELLS; SURFACE REACTIONS; TITANIUM DIOXIDE;

COMPUTATIONAL STRATEGY; ELECTRONICALLY EXCITED STATE; METAL OXIDE SURFACES; OXIDATIVE DEHYDROGENATIONS; PHOTOCATALYZED REACTIONS; PHOTOGENERATED HOLES; SEMI-CONDUCTOR SURFACES; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

DENSITY FUNCTIONAL THEORY;

EID: 84949116558     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp508557w     Document Type: Article

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