Understanding the electronic structure of larger azaacenes through DFT calculations

• Main Authors: Gao, Junkuo, Zhang, Qichun
• Other Authors: School of Materials Science & Engineering
• Format: Article
• Language: English
• Published: 2014
• Subjects: DRNTU::Engineering::Materials
• Online Access: https://hdl.handle.net/10356/101005; http://hdl.handle.net/10220/19698
• Institution: Nanyang Technological University

Although azapentacenes have been widely demonstrated as promising candidates for n-type organic semiconductor devices, the exploration of larger azaacenes is still a challenge. In particular, theoretical studies on the electronic structures of larger azaacenes and the influence of N substitution on...