Theoretical Verification of Photoelectrochemical Water Oxidation Using Nanocrystalline TiO2 Electrodes

Theoretical Verification of Photoelectrochemical Water Oxidation Using Nanocrystalline TiO2 Electrodes

Mesoscopic anatase nanocrystalline TiO2 (nc-TiO2) electrodes play effective and efficient catalytic roles in photoelectrochemical (PEC) H2O oxidation under short circuit energy gap excitation conditions. Interfacial molecular orbital structures of (H2O)3 &OH(TiO2)9H as a stationary model u...

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Bibliographic Details
Main Authors: Shozo Yanagida, Susumu Yanagisawa, Koichi Yamashita, Ryota Jono, Hiroshi Segawa
Format: Article
Language:English
Published: MDPI AG 2015-05-01
Series:Molecules
Subjects:
DFT
HOMO
LUMO
spin density
conductivity
TiO2 photocatalysis
DSC
Honda/Fujishima effect
Online Access:http://www.mdpi.com/1420-3049/20/6/9732

Internet

http://www.mdpi.com/1420-3049/20/6/9732

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