Structural and electronic properties of oligo- and polythiophenes modified by substituents

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• Frontana Uribe, B. A.; Palma‐Cando, A. U. doi:10.1002/0471238961.0512050318052514.a01.pub3
• Garg, S.; Goel, N. Optoelectronic Applications of Conjugated Organic Polymers: Influence of Donor/Acceptor Groups through Density Functional Studies. The Journal of Physical Chemistry C 2022, 126, 9313–9323. doi:10.1021/acs.jpcc.2c02938
• Sinsinbar, G.; Palaniappan, A.; Yildiz, U. H.; Liedberg, B. A Perspective on Polythiophenes as Conformation Dependent Optical Reporters for Label-Free Bioanalytics. ACS sensors 2022, 7, 686–703. doi:10.1021/acssensors.1c02476
• Jiang, F.; Liu, P.; Lu, B.; Liu, C.; Xu, J. doi:10.1002/9781119550723.ch4
• Kang, I.; Lee, T.; Yoon, Y. R.; Kim, J. W.; Kim, B.-K.; Lee, J.; Lee, J. H.; Kim, S. Y. Synthesis of Arylene Ether-Type Hyperbranched Poly(triphenylamine) for Lithium Battery Cathodes. Materials (Basel, Switzerland) 2021, 14, 7885. doi:10.3390/ma14247885
• Putra, M. H.; Seidenath, S.; Kupfer, S.; Gräfe, S.; Groß, A. Coupling of photoactive transition metal complexes to a functional polymer matrix. Chemistry (Weinheim an der Bergstrasse, Germany) 2021, 27, 17104–17114. doi:10.1002/chem.202102776
• Paulino, P. H. S.; Silva, C. F.; De Almeida, W. B.; Guimarães, L.; Nascimento, C. S. A theoretical study of poly(p-phenylenes) and their cyclodextrin-based insulated molecular wires. Computational and Theoretical Chemistry 2021, 1197, 113157. doi:10.1016/j.comptc.2021.113157
• Sirohi, A.; SanthiBhushan, B.; Srivastava, A. Charge transport in polythiophene molecular device: DFT analysis. Journal of molecular modeling 2021, 27, 77. doi:10.1007/s00894-021-04680-w
• Quoc, T. V.; Duong, L. T.; Quoc, V. D.; Quoc, T. T.; Trong, D. N.; Talu, S. Effect of doped H, Br, Cu, Kr, Ge, As and Fe on structural features and bandgap of poly C13H8OS-X: a DFT calculation. Designed monomers and polymers 2021, 24, 53–62. doi:10.1080/15685551.2021.1877431
• Quoc, T. V.; Do Ba, D.; Thuy, D. T. T.; Ngoc, L. N.; Thuy, C. N.; Thi, H. V.; Khanh, L. D.; Yen, O. D. T.; Thai, H.; Long, V. C.; Talu, S.; Trong, D. N. DFT study on some polythiophenes containing benzo[d]thiazole and benzo[d]oxazole: structure and band gap. Designed monomers and polymers 2021, 24, 274–284. doi:10.1080/15685551.2021.1971376
• Vu, Q. T.; Tran, T.-T.-D.; Nguyen, T.-C.; Nguyen, T. V.; Nguyen, H. M.; Van Vinh, P.; Nguyen-Trong, D.; Duc, N. D.; Nguyen-Tri, P. DFT Prediction of Factors Affecting the Structural Characteristics, the Transition Temperature and the Electronic Density of Some New Conjugated Polymers. Polymers 2020, 12, 1207. doi:10.3390/polym12061207
• Latiff, A. B. A.; Chong, Y. Y.; Mark-Lee, W. F.; Kassim, M. B. Insight into Positional Isomerism of N-(Benzo[d]thiazol-2-yl)-o/m/p-Nitrobenzamide: Crystal Structure, Hirshfeld Surface Analysis and Interaction Energy. Crystals 2020, 10, 348. doi:10.3390/cryst10050348
• Popoola, S. A.; Al-Harbi, M. H. M.; Al-Rashidi, A. H.; Almarwani, M. S. A.; Almohammedi, A.; Logunleko, A. O.; Al-Saadi, A. A. DFT evaluation of the effects of OH, NH2 and Br substituents on the properties of 2,2′-bipyridine derivatives. Journal of Taibah University for Science 2020, 14, 1527–1537. doi:10.1080/16583655.2020.1843872
• Karpavičienė, I.; Jonušis, M.; Leduskrasts, K.; Misiūnaitė, I.; Suna, E.; Čikotienė, I. Synthesis and photophysical properties of 3,5-diaryl-2-heteroarylthiophenes. Dyes and Pigments 2019, 170, 107646. doi:10.1016/j.dyepig.2019.107646
• Valderrama-García, B. X.; González-Méndez, I.; Sournia-Saquet, A.; Tassé, M.; Ching, K. I. M.-C.; Rivera, E. Electrosynthesis of thin films of polythiophenes containing pyrene groups and flexible spacers, useful in the preparation of graphene polymer composites. MRS Advances 2019, 4, 3233–3242. doi:10.1557/adv.2019.410
• Santos, E. S.; Reis, V. S.; Guimarães, L.; Nascimento, C. S. Molecular wires formed from native and push-pull derivatives polypyrroles and β-cyclodextrins: A HOMO-LUMO gap theoretical investigation. Chemical Physics Letters 2019, 730, 141–146. doi:10.1016/j.cplett.2019.05.058
• Rostami, Z.; Saedi, L.; Beheshti, K. S.; Vahabi, V.; Ostadhosseini, N. Design of a novel series of small molecule donors for application in organic solar cells. Solar Energy 2019, 186, 72–83. doi:10.1016/j.solener.2019.04.080
• Thanasamy, D.; Jesuraj, D.; kannan, S. K. K.; Avadhanam, V. A novel route to synthesis polythiophene with great yield and high electrical conductivity without post doping process. Polymer 2019, 175, 32–40. doi:10.1016/j.polymer.2019.03.042
• Golsanamlou, Z.; Tagani, M. B.; Soleimani, H. R. Large thermoelectric efficiency of doped polythiophene junction: A density functional study. Physica E: Low-dimensional Systems and Nanostructures 2018, 100, 31–39. doi:10.1016/j.physe.2018.02.024
• Kaloni, T. P.; Giesbrecht, P. K.; Schreckenbach, G.; Freund, M. S. Polythiophene: From Fundamental Perspectives to Applications. Chemistry of Materials 2017, 29, 10248–10283. doi:10.1021/acs.chemmater.7b03035

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