Density functional theory study on the semiconducting properties of metal phthalocyanine compounds: Effect of axially coordinated ligand

Chemistry

• Density Functional Theory Study 100%
• Phthalocyanines 100%
• Highest Occupied Molecular Orbital 22%
• Ionization Potential 22%
• Lowest Unoccupied Molecular Orbital 22%
• Single Crystalline Solid 11%
• Crystal Structure 11%
• Density Functional Theory 11%
• Field Effect 11%
• Electronegativity 11%
• Reorganization Energy 11%

Material Science

• Density 100%
• Single Crystal 50%
• Organic Field Effect Transistors 50%
• Crystal Structure 50%

Keyphrases

• Metal Phthalocyanine Complex 75%
• Electronic Affinity 50%