Polythiophene: From fundamental perspectives to applications

TP Kaloni, PK Giesbrecht, G Schreckenbach… - Chemistry of …, 2017 - ACS Publications
The field of organic electronics has been heavily impacted by the discovery and
development of π-conjugated conducting polymers. These polymers show great potential for …

[HTML][HTML] Band gap modulation in polythiophene and polypyrrole-based systems

TP Kaloni, G Schreckenbach, MS Freund - Scientific reports, 2016 - nature.com
In this paper, the structural and electronic properties of polythiophene and polyprrrole-based
systems have been investigated using first-principles calculations both in periodic and …

DFT and TD-DFT study on the structural and optoelectronic characteristics of chemically modified donor-acceptor conjugated oligomers for organic polymer solar cells

FC Franco Jr, AAB Padama - Polymer, 2016 - Elsevier
The structural and optoelectronic properties of several substituted poly [N-9′-heptadecanyl-
2, 7-carbazole-alt-5, 5-(4′, 7′-di-2-thienyl-2′, 1′, 3′-benzothiadiazole)(PCDTBT) …

Optical properties of functionalized polythiophenes

N Somanathan, S Radhakrishnan - International Journal of Modern …, 2005 - World Scientific
This review focuses on the interrelation between the influences of polymeric structure on the
optical properties of polythiophene—a versatile polymer for opto-electronic applications …

[HTML][HTML] Structural and electronic properties of oligo-and polythiophenes modified by substituents

SP Rittmeyer, A Groß - Beilstein journal of nanotechnology, 2012 - beilstein-journals.org
The electronic and structural properties of oligo-and polythiophenes that can be used as
building blocks for molecular electronic devices have been studied by using periodic density …

Charge injection and hopping transport in bridged-dithiophene-triazole-bridged-dithiophene (DT-Tr-DT) conducting oligomers: A DFT approach

R Dutta, DJ Kalita - Computational and Theoretical Chemistry, 2018 - Elsevier
Here, we have reported a series of exciting conducting organic heterocyclic oligomers
possessing the cyclopentadithiophene-4-thione-triazole-cyclopentadithiophene-4-thione …

Computational study on the effect of substituents on the structural and electronic properties of thiophene–pyrrole-based π-conjugated oligomers

H Sahu, AN Panda - Macromolecules, 2013 - ACS Publications
Theoretical calculations are carried out to study the effect of electron donating and
withdrawing groups on the electronic structure and properties of a class of conjugated …

DFT study on some polythiophenes containing benzo[d]thiazole and benzo[d]oxazole: structure and band gap

T Vu Quoc, D Do Ba, D Tran Thi Thuy… - Designed Monomers …, 2021 - Taylor & Francis
The content of this paper focuses/shed light on the effects of X (X= S in P1 and X= O in P2) in
C11H7NSX and R (R= H in P3, R= OCH3 in P4, and R= Cl in P5) in C18H9ON2S2-R on …

Chemiresistor sensors based on conducting polymers for hypergolic propellants and acidic vapors of rocket exhaust plumes–a review

S Selvakumar, N Somanathan… - Propellants, Explosives …, 2013 - Wiley Online Library
This review covers the main applications of conducting polymers in chemiresistor sensors
for sensing hazardous hypergolic liquid propellant vapors and toxic exhaust plume acidic …

Density functional study of triazole and thiadiazole systems as electron transporting materials

E Jansson, PC Jha, H Ågren - Chemical physics, 2006 - Elsevier
Density functional theory has been used for the calculation of electronic structures, vertical
electron affinities and intramolecular reorganization energies for bis-aryl substituted triazole …