First principles investigations of electronic, photoluminescence and charge transfer properties of the Naphtho[2,1-b:6,5-b′]difuran and its derivatives for OFET

• Main Authors: Aijaz Rasool Chaudhry,, Ahmed, R., Ahmad Irfan,, Shaari, A., Hasmerya Maarof,, Abdullah G. Al-Sehemi,
• Format: Article
• Language: English
• Published: Universiti Kebangsaan Malaysia 2014
• Online Access: http://journalarticle.ukm.my/7175/1/08_Aijaz.pdf; http://journalarticle.ukm.my/7175/; http://www.ukm.my/jsm/

We have designed new derivatives of naphtha [2,1-b:6,5-b′] difuran as DPNDF-CN1 and DPNDF-CN2. The molecular structures of DPNDF, its derivatives DPNDF-CN1 and DPNDF-CN2 have been optimized at the ground (S0) and first excited (S1) states using density functional theory (DFT) and time-dependent dens...