Tuning the charge-transport parameters of perylene diimide single crystals via end and/or core functionalization: A density functional theory investigation

Chemistry

• Density Functional Theory 100%
• Perylene 100%
• Functionalization 100%
• Single Crystalline Solid 50%
• Substitution Reaction 50%
• Nitrogen 50%
• Effective Mass 50%
• Liquid Film 50%
• Number 50%
• Crystalline Material 50%
• Group 50%

Material Science

• Organic Semiconductor 100%
• Single Crystal 50%
• Liquid Films 50%
• Transistor 50%
• Air 50%
• Crystal 50%