Polythiophene: From fundamental perspectives to applications
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 …
development of π-conjugated conducting polymers. These polymers show great potential for …
[HTML][HTML] Band gap modulation in polythiophene and polypyrrole-based systems
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 …
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) …
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 …
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 …
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 …
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 …
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 …
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 …
for sensing hazardous hypergolic liquid propellant vapors and toxic exhaust plume acidic …
Density functional study of triazole and thiadiazole systems as electron transporting materials
Density functional theory has been used for the calculation of electronic structures, vertical
electron affinities and intramolecular reorganization energies for bis-aryl substituted triazole …
electron affinities and intramolecular reorganization energies for bis-aryl substituted triazole …