First-principle calculations of solvated electrons at protic solvent-TiO2 interfaces with oxygen vacancies

Journal of Physical Chemistry C

Volumn 113, Issue 17, 2009, Pages 7236-7245

  Koitaya, Takanori ^a   Nakamura, Hisao ^a   Yamashita, Koichi ^a  

^a UNIVERSITY OF TOKYO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; CATALYTIC ACTIVE SITES; DFT CALCULATION; ELECTRON SOLVATION; ELECTRON STATE; FIRST PRINCIPLE CALCULATIONS; FUNCTIONAL STATE; HETEROGENEOUS ELECTRON TRANSFER; METAL OXIDE INTERFACE; PHOTOINDUCED CHARGE TRANSFER; PROTIC SOLVENTS; SOLVATED ELECTRON; SUBSTRATE INTERACTION; SURFACE SCIENCE; TIME-RESOLVED; TIO; TWO-PHOTON PHOTOEMISSION;

BINDING SITES; CHARGE TRANSFER; ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; GAS ADSORPTION; HYDROGEN; ION EXCHANGE; MASS TRANSFER; METALLIC COMPOUNDS; METALS; MOLECULES; OXYGEN; OXYGEN VACANCIES; SULFUR COMPOUNDS; TWO PHOTON PROCESSES;

HYDROGEN BONDS;

EID: 67049171151     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp809596q     Document Type: Article

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