Combined Experimental and DFT-TDDFT Computational Study of Photoelectrochemical Cell Ruthenium Sensitizers

作者： Mohammad K. Nazeeruddin , Filippo De Angelis , Simona Fantacci , Annabella Selloni , Guido Viscardi

DOI: 10.1021/JA052467L

关键词: Physical chemistry 、 Absorption spectroscopy 、 Chemistry 、 Density functional theory 、 Electronic structure 、 Stereochemistry 、 Electron localization function 、 Ruthenium 、 Protonation 、 Photoelectrochemical cell 、 Time-dependent density functional theory