Atomistic simulation of dissipative charge carrier dynamics for photocatalysis

Materials Research Society Symposium Proceedings

Volumn 1390, Issue , 2012, Pages 187-192

  Inerbaev, Talgat M ^a   Kilin, Dmitri S ^b   Hoefelmeyer, James ^b  

^a L N GUMILYOV EURASIAN NATIONAL UNIVERSITY   (Kazakhstan)

^b University of South Dakota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMISTIC SIMULATIONS; CHARGE CARRIER DYNAMICS; CHARGE DYNAMICS; CHARGE TRANSFER STATE; CHARGE-TRANSFER DYNAMICS; FUNCTIONALIZED; HIGH SURFACE AREA; KOHN-SHAM ORBITALS; NANO-CATALYST; NANOROD SURFACES; NON-ADIABATIC COUPLING; OPTIMAL COMPOSITION; OXIDATION CATALYSIS; PHOTO-EXCITATIONS; POSITIVELY CHARGED; REDUCED-DENSITY MATRIX; SEMICONDUCTOR NANORODS; SURFACE CATALYSTS; TIME AND FREQUENCY DOMAINS; TIO; VALENCE BAND EDGES; WATER SPLITTING;

CHARGE TRANSFER; DYNAMICS; HYDROGEN PRODUCTION; NANORODS; PHOTOCATALYSIS; SEMICONDUCTOR DOPING; SURFACES; TITANIUM DIOXIDE;

COMPUTER SIMULATION;

EID: 84866049708     PISSN: 02729172     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1557/opl.2012.851     Document Type: Conference Paper

References (10)

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