Theoretical study of photoinduced electron-transfer processes in the dye-semiconductor system alizarin-TiO2

Journal of Physical Chemistry C

Volumn 114, Issue 43, 2010, Pages 18481-18493

  Li, Jingrui ^a,b   Kondov, Ivan ^a,d   Wang, Haobin ^c   Thoss, Michael ^b  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^b UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

^c NEW MEXICO STATE UNIVERSITY   (United States)

^d KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

DYNAMICAL SIMULATION; ELECTRON TRANSFER PROCESS; ELECTRONIC COHERENCE; ELECTRONIC STRUCTURE CALCULATIONS; ELECTRONIC-VIBRATIONAL COUPLING; FEMTOSECOND TIME SCALE; FIRST-PRINCIPLES; INTERMEDIATE STATE; MODEL HAMILTONIANS; MODELING PROCEDURE; PHOTOINDUCED ELECTRON-TRANSFER PROCESS; SEMICONDUCTOR SYSTEMS; SUBSTRATE INTERFACE; THEORETICAL STUDY; TIME-DEPENDENT HARTREE METHOD; TIO; TWO-STEP MECHANISMS; ULTRA-FAST;

ELECTRONIC STRUCTURE; ELECTRONS;

HAMILTONIANS;

EID: 78650391711     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp104335k     Document Type: Article

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