Alignment of the dye's molecular levels with the TiO₂ band edges in dye-sensitized solar cells: A DFT-TDDFT study

Engineering & Materials Science

• Conduction bands 28%
• Density functional theory 100%
• Discrete Fourier transforms 73%
• Dye-sensitized solar cells 96%
• Dyes 75%
• Electronic structure 49%
• Excitation energy 28%
• Excited states 27%
• Nanoparticles 49%
• Oxidation 14%
• Titanium dioxide 21%
• Water 9%

Chemical Compounds

• Conduction Band 24%
• Density Functional Theory 41%
• Dye 41%
• Electronic State 32%
• Energy 10%
• Excited State 17%
• Nanoparticle 11%
• Oxidation Potential 23%
• Titanium Dioxide 18%