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25th Anniversary Article: High‐Mobility Hole and Electron Transport Conjugated Polymers: How Structure Defines Function
Abstract
The structural organization of three different families of semicrystalline π‐conjugated polymers is reported (poly(3‐hexylthiophene) (P3HT), poly[2,6‐(4,4‐bis‐alkyl‐4H‐cyclopenta‐[2,1‐b;3,4‐b0]‐dithiophene)‐alt‐4,7‐(2,1,3‐benzothiadiazole)](cyclopentadithiophene‐benzothiadiazole) (CDT‐BTZ) and poly(N,N"‐bis‐2‐octyldodecylnaphtalene‐1,4,5,8‐bis‐dicarboximide‐2,6‐diyl‐alt‐5,5–2,2‐bithiophene (P(NDI2OD‐T2))). These have triggered significant interest for their remarkable charge‐transport properties. By performing molecular mechanics/dynamics simulations with carefully re‐parameterized force fields, it is illustrated in particular how the supramolecular organization of these conjugated polymers is driven by an interplay between the length and nature of the conjugated monomer unit and the packing of their alkyl side chains, and to what extent it impacts the charge‐carrier mobility, as monitored by quantum‐chemical calculations of the intermolecular hopping transfer integrals. This Progress Report is concluded by providing generic guidelines for the design of materials with enhanced degrees of supramolecular organization.
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Cites
Electron transfer reactions in chemistry. Theory and experiment
Marcus, R. A. (1993) · Reviews of Modern Physics · doi:10.1103/revmodphys.65.599 · Cited by 3,667
Coffin, R. C., Peet, J., Rogers, J., & Bazan, G. C. (2009) · Nature Chemistry · doi:10.1038/nchem.403 · Cited by 597
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Organic electrochemical transistors
Rivnay, J., Inal, S., Salleo, A., Owens, R. M., Berggren, M., & Malliaras, G. G. (2018) · Nature Reviews Materials · doi:10.1038/natrevmats.2017.86 · Cited by 2,065
Approaching disorder-free transport in high-mobility conjugated polymers
Venkateshvaran, D., Nikolka, M., Sadhanala, A., Lemaur, V., Zelazny, M., Kepa, M., Hurhangee, M., Kronemeijer, A. J., Pecunia, V., Nasrallah, I., et al. (2014) · Nature · doi:10.1038/nature13854 · Cited by 1,050
Self-citationChou, H.-H., Nguyen, A., Chortos, A., To, J. W. F., Lu, C., Mei, J., Kurosawa, T., Bae, W.-G., Tok, J. B.-H., & Bao, Z. (2015) · Nature Communications · doi:10.1038/ncomms9011 · Cited by 914
Supramolecular polymerization through kinetic pathway control and living chain growth
Wehner, M., & Würthner, F. (2019) · Nature Reviews Chemistry · doi:10.1038/s41570-019-0153-8 · Cited by 592
Liu, K., Ouyang, B., Guo, X., Guo, Y., & Liu, Y. (2022) · npj Flexible Electronics · doi:10.1038/s41528-022-00133-3 · Cited by 554
Metadata
- Authors
- Olivier, Y., Niedzialek, D., Lemaur, V., Pisula, W., Müllen, K., Koldemir, U., Reynolds, J. R., Lazzaroni, R., Cornil, J., & Beljonne, D.
- Venue
- Advanced Materials
- Publisher
- Wiley
- Published
- 2014-03-05
- Volume
- 26
- Issue
- 14
- Pages
- 2119-2136
- ISSN
- 0935-9648 (ISSN-L)
- 1521-4095
- OpenAlex
- W2110518926
- Cited by
- 224
- References
- 2
- FWCI
- 16.98
- Type
- journal article
- Language
- en
- Open access
- closed
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- The paper
- Olivier, Y., Niedzialek, D., Lemaur, V., Pisula, W., Müllen, K., Koldemir, U., Reynolds, J. R., Lazzaroni, R., Cornil, J., & Beljonne, D. (2014). 25th Anniversary Article: High‐Mobility Hole and Electron Transport Conjugated Polymers: How Structure Defines Function. Advanced Materials. https://doi.org/10.1002/adma.201305809
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