DFT/TDDFT investigation on the electronic structures and photophysical properties of phosphorescent iridium(III) complexes with 2-(pyridin-2-yl)- benzo[d]imidazole ligand

Medicine & Life Sciences

• Density Functional Theory 100%
• Iridium 91%
• imidazole 74%
• pyrazole 62%
• Ligands 40%
• Electrons 22%
• Electron Transport 15%
• Metals 12%
• Color 11%

Physics & Astronomy

• imidazoles 83%
• iridium 70%
• ligands 57%
• density functional theory 43%
• electronic structure 42%
• phenyls 35%
• conjugation 19%
• electron transfer 8%
• quantum efficiency 7%
• charge transfer 7%
• electrons 6%
• injection 5%
• color 5%
• causes 4%
• energy 4%
• metals 4%
• wavelengths 3%
• performance 3%

Chemical Compounds

• Imidazole 49%
• Electronic State 42%
• Density Functional Theory 35%
• Reorganization Energy 35%
• Pyrazole 29%
• Ligand 25%
• Length 17%
• Hole Transport 16%
• Emission Wavelength 15%
• Electron Transport 13%
• Optoelectronics 12%
• Orange 12%
• Blue 10%
• Electron Transfer 9%
• Charge Transfer 9%
• Red 9%
• Green 9%
• Metal 6%