Theoretical investigation on the electronic and optical properties of poly(fluorenevinylene) derivatives as light-emitting materials

• Main Authors: Kungwan N., Yakhanthip T., Jitonnom J., Anuragudom P., Jungsuttiwong S., Hannongbua S.
• Format: Journal
• Published: 2017
• Online Access: https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=80053534903&origin=inward; http://cmuir.cmu.ac.th/jspui/handle/6653943832/42982
• Institution: Chiang Mai University

Density functional theory (DFT) and time-dependent DFT (TDDFT) were employed to study ground-state properties, HOMO-LUMO gaps (Δ H-L ), excitation energies (E g ), ionization potentials (IPs), and electron affinities (EA) for PFV-alt-PDONV and PFV-alt-PDIH-PPV having different alternating groups. E...