Remarkable conductivity enhancement in P-doped polythiophenes via rational engineering of polymer-dopant interactions
Molecular doping is an effective approach to tune the charge density and optimize electrical performance of conjugated polymers. However, the introduction of dopants, on the other hand, may disturb the polymer microstructure and disrupt the charge transport path, often leading to a decrease of charg...
| Main Authors: | , , , , , , , , , , , , , , |
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| Format: | Article |
| Language: | English |
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Elsevier
2023-06-01
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| Series: | Materials Today Advances |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2590049823000206 |
| _version_ | 1797796323494199296 |
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| author | Jongho Kim Jing Guo Gjergji Sini Michael Korning Sørensen Jens Wenzel Andreasen Kai Lin Woon Veaceslav Coropceanu Sri Harish Kumar Paleti Huan Wei Sébastien Peralta Mohamed Mallouki Christian Müller Yuanyuan Hu Thanh-Tuan Bui Suhao Wang |
| author_facet | Jongho Kim Jing Guo Gjergji Sini Michael Korning Sørensen Jens Wenzel Andreasen Kai Lin Woon Veaceslav Coropceanu Sri Harish Kumar Paleti Huan Wei Sébastien Peralta Mohamed Mallouki Christian Müller Yuanyuan Hu Thanh-Tuan Bui Suhao Wang |
| author_sort | Jongho Kim |
| collection | DOAJ |
| description | Molecular doping is an effective approach to tune the charge density and optimize electrical performance of conjugated polymers. However, the introduction of dopants, on the other hand, may disturb the polymer microstructure and disrupt the charge transport path, often leading to a decrease of charge carrier mobility and deterioration of electrical conductivity of the doped films. Here we show that dopant-induced disorder can be overcome by rational engineering of polymer-dopant interactions, resulting in remarkable enhancement of electrical conductivity. Benchmark poly(3-hexylthiophene) (P3HT) and its analogous random polymers of 3-hexylthiophene and thiophene P[(3HT)1-x-stat-(T)x] were synthesized and doped by 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4TCNQ). Remarkably, random P[(3HT)1-x-stat-(T)x] was doped to a far superior electrical conductivity, that in the case of x ≥ 0.24, the conductivity of P[(3HT)1-x-stat-(T)x] is over 100 times higher than that of the doped P3HT, despite both P3HT and P[(3HT)1-x-stat-(T)x] exhibit comparable charge carrier mobility in their pristine state and in spite of their practically identical redox properties. This result can be traced back to the formation of π-stacked polymer-dopant-polymer co-crystals exhibiting extremely short packing distances of 3.13–3.15 Å. The mechanism behind these performances is based on a new role played by the dopant molecules that we name “bridging-gluing”. The results are coherently verified by the combination of optical absorption spectroscopy, X-ray diffraction, density functional theory calculations, and molecular dynamics simulations. |
| first_indexed | 2024-03-13T03:32:24Z |
| format | Article |
| id | doaj.art-62037e41c6f04adbb29d261838c3d762 |
| institution | Directory Open Access Journal |
| issn | 2590-0498 |
| language | English |
| last_indexed | 2024-03-13T03:32:24Z |
| publishDate | 2023-06-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Materials Today Advances |
| spelling | doaj.art-62037e41c6f04adbb29d261838c3d7622023-06-24T05:18:50ZengElsevierMaterials Today Advances2590-04982023-06-0118100360Remarkable conductivity enhancement in P-doped polythiophenes via rational engineering of polymer-dopant interactionsJongho Kim0Jing Guo1Gjergji Sini2Michael Korning Sørensen3Jens Wenzel Andreasen4Kai Lin Woon5Veaceslav Coropceanu6Sri Harish Kumar Paleti7Huan Wei8Sébastien Peralta9Mohamed Mallouki10Christian Müller11Yuanyuan Hu12Thanh-Tuan Bui13Suhao Wang14Laboratoire de Physicochimie des Polymères et des Interfaces, CY Cergy Paris Université, 5 Mail Gay Lussac, 95000, Neuville-sur-Oise, FranceChangsha Semiconductor Technology and Application Innovation Research Institute & International Science and Technology Innovation Cooperation Base for Advanced Display Technologies of Hunan Province, College of Semiconductors (College of Integrated Circuits), Hunan University, Changsha, 410082, ChinaLaboratoire de Physicochimie des Polymères et des Interfaces, CY Cergy Paris Université, 5 Mail Gay Lussac, 95000, Neuville-sur-Oise, France; Corresponding author.Department of Energy Conversion and Storage, Technical University of Denmark, 2800, Kgs. Lyngby, DenmarkDepartment of Energy Conversion and Storage, Technical University of Denmark, 2800, Kgs. Lyngby, DenmarkLow Dimensional Material Research Center, Department of Physics, University Malaya, Kuala Lumpur, 50603, MalaysiaDepartment of Chemistry and Biochemistry, The University of Arizona, Tucson, AZ, 85721-0088, USADepartment of Chemistry and Chemical Engineering, Chalmers University of Technology, 41296, Göteborg, SwedenChangsha Semiconductor Technology and Application Innovation Research Institute & International Science and Technology Innovation Cooperation Base for Advanced Display Technologies of Hunan Province, College of Semiconductors (College of Integrated Circuits), Hunan University, Changsha, 410082, ChinaLaboratoire de Physicochimie des Polymères et des Interfaces, CY Cergy Paris Université, 5 Mail Gay Lussac, 95000, Neuville-sur-Oise, FranceLaboratoire de Physicochimie des Polymères et des Interfaces, CY Cergy Paris Université, 5 Mail Gay Lussac, 95000, Neuville-sur-Oise, FranceDepartment of Chemistry and Chemical Engineering, Chalmers University of Technology, 41296, Göteborg, SwedenChangsha Semiconductor Technology and Application Innovation Research Institute & International Science and Technology Innovation Cooperation Base for Advanced Display Technologies of Hunan Province, College of Semiconductors (College of Integrated Circuits), Hunan University, Changsha, 410082, China; Corresponding author.Laboratoire de Physicochimie des Polymères et des Interfaces, CY Cergy Paris Université, 5 Mail Gay Lussac, 95000, Neuville-sur-Oise, FranceLaboratoire de Physicochimie des Polymères et des Interfaces, CY Cergy Paris Université, 5 Mail Gay Lussac, 95000, Neuville-sur-Oise, France; Corresponding author.Molecular doping is an effective approach to tune the charge density and optimize electrical performance of conjugated polymers. However, the introduction of dopants, on the other hand, may disturb the polymer microstructure and disrupt the charge transport path, often leading to a decrease of charge carrier mobility and deterioration of electrical conductivity of the doped films. Here we show that dopant-induced disorder can be overcome by rational engineering of polymer-dopant interactions, resulting in remarkable enhancement of electrical conductivity. Benchmark poly(3-hexylthiophene) (P3HT) and its analogous random polymers of 3-hexylthiophene and thiophene P[(3HT)1-x-stat-(T)x] were synthesized and doped by 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4TCNQ). Remarkably, random P[(3HT)1-x-stat-(T)x] was doped to a far superior electrical conductivity, that in the case of x ≥ 0.24, the conductivity of P[(3HT)1-x-stat-(T)x] is over 100 times higher than that of the doped P3HT, despite both P3HT and P[(3HT)1-x-stat-(T)x] exhibit comparable charge carrier mobility in their pristine state and in spite of their practically identical redox properties. This result can be traced back to the formation of π-stacked polymer-dopant-polymer co-crystals exhibiting extremely short packing distances of 3.13–3.15 Å. The mechanism behind these performances is based on a new role played by the dopant molecules that we name “bridging-gluing”. The results are coherently verified by the combination of optical absorption spectroscopy, X-ray diffraction, density functional theory calculations, and molecular dynamics simulations.http://www.sciencedirect.com/science/article/pii/S2590049823000206Conducting polymersCharge-transportDopingAggregationsDFT calculations |
| spellingShingle | Jongho Kim Jing Guo Gjergji Sini Michael Korning Sørensen Jens Wenzel Andreasen Kai Lin Woon Veaceslav Coropceanu Sri Harish Kumar Paleti Huan Wei Sébastien Peralta Mohamed Mallouki Christian Müller Yuanyuan Hu Thanh-Tuan Bui Suhao Wang Remarkable conductivity enhancement in P-doped polythiophenes via rational engineering of polymer-dopant interactions Materials Today Advances Conducting polymers Charge-transport Doping Aggregations DFT calculations |
| title | Remarkable conductivity enhancement in P-doped polythiophenes via rational engineering of polymer-dopant interactions |
| title_full | Remarkable conductivity enhancement in P-doped polythiophenes via rational engineering of polymer-dopant interactions |
| title_fullStr | Remarkable conductivity enhancement in P-doped polythiophenes via rational engineering of polymer-dopant interactions |
| title_full_unstemmed | Remarkable conductivity enhancement in P-doped polythiophenes via rational engineering of polymer-dopant interactions |
| title_short | Remarkable conductivity enhancement in P-doped polythiophenes via rational engineering of polymer-dopant interactions |
| title_sort | remarkable conductivity enhancement in p doped polythiophenes via rational engineering of polymer dopant interactions |
| topic | Conducting polymers Charge-transport Doping Aggregations DFT calculations |
| url | http://www.sciencedirect.com/science/article/pii/S2590049823000206 |
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