D-π-A dye attached on TiO₂(101) and TiO₂(001) surfaces: Electron transfer properties from ab initio calculations

Keyphrases

• Rutile 100%
• Ab Initio Calculations 100%
• Electron Injection 100%
• TiO2 (001) Surface 100%
• Donor-bridge-acceptor 100%
• Surface Electrons 100%
• Electron Transfer Properties 100%
• TiO2(101) 100%
• Electronic Properties 66%
• Monodentate 66%
• Anatase TiO2 66%
• Linkage Mode 66%
• Dye Assembly 66%
• (001)-TiO2 66%
• Deprotonated 33%
• High Efficiency 33%
• Oxygen Vacancy 33%
• Chelates 33%
• Photosensitizer 33%
• Dye-sensitized Solar Cells 33%
• Zinc Porphyrin 33%
• Semiconductors 33%
• Conduction Band 33%
• Banded Structure 33%
• Bidentate 33%
• Stability Properties 33%
• Surface Characteristics 33%
• Lowest Unoccupied Molecular Orbital 33%
• Porphyrin Dyes 33%
• Transfer Properties 33%
• TiO2 (101) Surface 33%
• Deprotonation 33%
• Defective TiO2 33%
• Fast Electrons 33%
• Dye Adsorption 33%
• Adsorption Mode 33%
• Periodic Density Functional Theory Calculations 33%
• Strong Hybridization 33%
• Screened Hybrids 33%
• Electronic Coupling 33%

Physics

• Adsorption 100%
• Density Functional Theory 50%
• Dye-Sensitized Solar Cell 50%
• Oxygen Vacancy 50%
• Porphyrin 50%
• Conduction Band 50%

Material Science

• Titanium Dioxide 100%
• Ab Initio Calculation 100%
• Electron Transfer 100%
• Density 8%
• Oxygen Vacancy 8%
• Electronic Property 8%
• Dye-Sensitized Solar Cell 8%
• Surface Property 8%
• Electronic Band Structure 8%