DFT and TD-DFT study on the electronic structures and phosphorescent properties of a series of heteroleptic iridium(III) complexes

Physics & Astronomy

• iridium 100%
• phenyls 88%
• ligands 81%
• density functional theory 62%
• electronic structure 60%
• imidazoles 59%
• pyridines 51%
• conjugation 48%
• energy absorption 45%
• red shift 42%
• emission spectra 35%
• charge transfer 34%
• optical properties 26%
• electronics 21%
• metals 20%
• wavelengths 19%

Chemical Compounds

• Electronic State 59%
• Density Functional Theory 50%
• Emission Spectrum 35%
• Ligand 35%
• Imidazole 35%
• Quantum Yield 34%
• Electronic Property 33%
• Band Gap 30%
• Optical Property 29%
• Pyridine 28%
• Wavelength 28%
• Charge Transfer 28%
• Red 28%
• Energy 19%
• Metal 18%