Influence of push-pull configuration on the electro-optical and charge transport properties of novel naphtho-difuran derivatives: a DFT study

• Main Authors: Chaudhry, Aijaz Rasool, Ahmed, Rashid, Irfan, Ahmad R., Muhammad, Shabbir, Shaari, Amiruddin, M. Al-Sehemi, Abdullah Ghodran
• Format: Article
• Language: English
• Published: Royal Society of Chemistry 2014
• Subjects: Q Science
• Online Access: http://eprints.utm.my/id/eprint/53177/1/AijazRasoolChaudhry2014_Influenceofpush-pullconfiguration.pdf; http://eprints.utm.my/id/eprint/53177/; http://dx.doi.org/10.1039/c4ra05850j

We present a density functional theory (DFT) study pertaining to electro-optical and charge transport properties of two novel derivatives of diphenyl-naphtho[2,1-b:6,5-b′]difuran (DPNDF) as investigated based on push-pull configuration. Both molecular structures of the designed derivatives were opti...