Amphipathic Side Chain of a Conjugated Polymer Optimizes Dopant Location toward Efficient N-Type Organic Thermoelectrics.

Jian Liu; Gang Ye; Hinderikus G O Potgieser; Marten Koopmans; Selim Sami; Mohamad Insan Nugraha; Diego Rosas Villalva; Hengda Sun; Jingjin Dong; Xuwen Yang; Xinkai Qiu; Chen Yao; Giuseppe Portale; Simone Fabiano; Thomas D. Anthopoulos; Derya Baran; Remco W A Havenith; Ryan C Chiechi; L. Jan Anton Koster

doi:10.1002/adma.202006694

Amphipathic Side Chain of a Conjugated Polymer Optimizes Dopant Location toward Efficient N-Type Organic Thermoelectrics.

Jian Liu, Gang Ye, Hinderikus G O Potgieser, Marten Koopmans, Selim Sami, Mohamad Insan Nugraha, Diego Rosas Villalva, Hengda Sun, Jingjin Dong, Xuwen Yang, Xinkai Qiu, Chen Yao, Giuseppe Portale, Simone Fabiano, Thomas D. Anthopoulos, Derya Baran, Remco W A Havenith, Ryan C Chiechi, L. Jan Anton Koster

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Abstract

There is no molecular strategy for selectively increasing the Seebeck coefficient without reducing the electrical conductivity for organic thermoelectrics. Here, it is reported that the use of amphipathic side chains in an n-type donor-acceptor copolymer can selectively increase the Seebeck coefficient and thus increase the power factor by a factor of ≈5. The amphipathic side chain contains an alkyl chain segment as a spacer between the polymer backbone and an ethylene glycol type chain segment. The use of this alkyl spacer does not only reduce the energetic disorder in the conjugated polymer film but can also properly control the dopant sites away from the backbone, which minimizes the adverse influence of counterions. As confirmed by kinetic Monte Carlo simulations with the host-dopant distance as the only variable, a reduced Coulombic interaction resulting from a larger host-dopant distance contributes to a higher Seebeck coefficient for a given electrical conductivity. Finally, an optimized power factor of 18 µW m$^{-1}$ K$^{-2}$ is achieved in the doped polymer film. This work provides a facile molecular strategy for selectively improving the Seebeck coefficient and opens up a new route for optimizing the dopant location toward realizing better n-type polymeric thermoelectrics.

Original language	English (US)
Pages (from-to)	2006694
Journal	Advanced materials (Deerfield Beach, Fla.)
DOIs	https://doi.org/10.1002/adma.202006694
State	Published - Dec 11 2020

Bibliographical note

KAUST Repository Item: Exported on 2020-12-14
Acknowledged KAUST grant number(s): OSR-CRG2018-3737
Acknowledgements: This study was supported by a grant from STW/NWO (VIDI 13476). This study is part of the research program of the Foundation of Fundamental Research on Matter (FOM), which is part of the Netherlands Organization for Scientific Research (NWO). This is a publication by the FOM Focus Group “Next Generation Organic Photovoltaics,” participating in the Dutch Institute for Fundamental Energy Research (DIFFER). J.D. acknowledges financial support from the China Scholarship Council. The authors thank the Center for Information Technology of the University of Groningen for their support and for providing access to the Peregrine high performance computing cluster. S.F. acknowledges the support from the Swedish Research Council (2016-03979), Olle Engkvists Stiftelse (204-0256), and the Advanced Functional Materials center at LiU (2009 00971). D.B. acknowledges the support by the King Abdullah University of Science and Technology (KAUST) Office of Sponsored Research (OSR) under Award No. OSR-CRG2018-3737. S.S. and R.W.A.H. acknowledges SURFSara for giving access to the Dutch national supercomputer Cartesius. This work was sponsored by NWO Exact and Natural Sciences for the use of supercomputer facilities (2020/ENW/00852342). The authors greatly thank dr. H.P. (Hjalmar) Permentier from Interfaculty Mass Spectrometry Center, University of Groningen for MALDI-TOF measurement.

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Liu, J., Ye, G., Potgieser, H. G. O., Koopmans, M., Sami, S., Nugraha, M. I., Villalva, D. R., Sun, H., Dong, J., Yang, X., Qiu, X., Yao, C., Portale, G., Fabiano, S., Anthopoulos, T. D., Baran, D., Havenith, R. W. A., Chiechi, R. C., & Koster, L. J. A. (2020). Amphipathic Side Chain of a Conjugated Polymer Optimizes Dopant Location toward Efficient N-Type Organic Thermoelectrics. Advanced materials (Deerfield Beach, Fla.), 2006694. https://doi.org/10.1002/adma.202006694

@article{a8098fbb3abe43ee892da9d21384a4f7,

title = "Amphipathic Side Chain of a Conjugated Polymer Optimizes Dopant Location toward Efficient N-Type Organic Thermoelectrics.",

abstract = "There is no molecular strategy for selectively increasing the Seebeck coefficient without reducing the electrical conductivity for organic thermoelectrics. Here, it is reported that the use of amphipathic side chains in an n-type donor-acceptor copolymer can selectively increase the Seebeck coefficient and thus increase the power factor by a factor of ≈5. The amphipathic side chain contains an alkyl chain segment as a spacer between the polymer backbone and an ethylene glycol type chain segment. The use of this alkyl spacer does not only reduce the energetic disorder in the conjugated polymer film but can also properly control the dopant sites away from the backbone, which minimizes the adverse influence of counterions. As confirmed by kinetic Monte Carlo simulations with the host-dopant distance as the only variable, a reduced Coulombic interaction resulting from a larger host-dopant distance contributes to a higher Seebeck coefficient for a given electrical conductivity. Finally, an optimized power factor of 18 µW m$^{-1}$ K$^{-2}$ is achieved in the doped polymer film. This work provides a facile molecular strategy for selectively improving the Seebeck coefficient and opens up a new route for optimizing the dopant location toward realizing better n-type polymeric thermoelectrics.",

author = "Jian Liu and Gang Ye and Potgieser, {Hinderikus G O} and Marten Koopmans and Selim Sami and Nugraha, {Mohamad Insan} and Villalva, {Diego Rosas} and Hengda Sun and Jingjin Dong and Xuwen Yang and Xinkai Qiu and Chen Yao and Giuseppe Portale and Simone Fabiano and Anthopoulos, {Thomas D.} and Derya Baran and Havenith, {Remco W A} and Chiechi, {Ryan C} and Koster, {L. Jan Anton}",

note = "KAUST Repository Item: Exported on 2020-12-14 Acknowledged KAUST grant number(s): OSR-CRG2018-3737 Acknowledgements: This study was supported by a grant from STW/NWO (VIDI 13476). This study is part of the research program of the Foundation of Fundamental Research on Matter (FOM), which is part of the Netherlands Organization for Scientific Research (NWO). This is a publication by the FOM Focus Group “Next Generation Organic Photovoltaics,” participating in the Dutch Institute for Fundamental Energy Research (DIFFER). J.D. acknowledges financial support from the China Scholarship Council. The authors thank the Center for Information Technology of the University of Groningen for their support and for providing access to the Peregrine high performance computing cluster. S.F. acknowledges the support from the Swedish Research Council (2016-03979), Olle Engkvists Stiftelse (204-0256), and the Advanced Functional Materials center at LiU (2009 00971). D.B. acknowledges the support by the King Abdullah University of Science and Technology (KAUST) Office of Sponsored Research (OSR) under Award No. OSR-CRG2018-3737. S.S. and R.W.A.H. acknowledges SURFSara for giving access to the Dutch national supercomputer Cartesius. This work was sponsored by NWO Exact and Natural Sciences for the use of supercomputer facilities (2020/ENW/00852342). The authors greatly thank dr. H.P. (Hjalmar) Permentier from Interfaculty Mass Spectrometry Center, University of Groningen for MALDI-TOF measurement.",

year = "2020",

month = dec,

day = "11",

doi = "10.1002/adma.202006694",

language = "English (US)",

pages = "2006694",

journal = "Advanced materials (Deerfield Beach, Fla.)",

issn = "0935-9648",

publisher = "WILEY-V C H VERLAG GMBH",

}

Liu, J, Ye, G, Potgieser, HGO, Koopmans, M, Sami, S, Nugraha, MI, Villalva, DR, Sun, H, Dong, J, Yang, X, Qiu, X, Yao, C, Portale, G, Fabiano, S, Anthopoulos, TD, Baran, D, Havenith, RWA, Chiechi, RC & Koster, LJA 2020, 'Amphipathic Side Chain of a Conjugated Polymer Optimizes Dopant Location toward Efficient N-Type Organic Thermoelectrics.', Advanced materials (Deerfield Beach, Fla.), pp. 2006694. https://doi.org/10.1002/adma.202006694

TY - JOUR

T1 - Amphipathic Side Chain of a Conjugated Polymer Optimizes Dopant Location toward Efficient N-Type Organic Thermoelectrics.

AU - Liu, Jian

AU - Ye, Gang

AU - Potgieser, Hinderikus G O

AU - Koopmans, Marten

AU - Sami, Selim

AU - Nugraha, Mohamad Insan

AU - Villalva, Diego Rosas

AU - Sun, Hengda

AU - Dong, Jingjin

AU - Yang, Xuwen

AU - Qiu, Xinkai

AU - Yao, Chen

AU - Portale, Giuseppe

AU - Fabiano, Simone

AU - Anthopoulos, Thomas D.

AU - Baran, Derya

AU - Havenith, Remco W A

AU - Chiechi, Ryan C

AU - Koster, L. Jan Anton

N1 - KAUST Repository Item: Exported on 2020-12-14 Acknowledged KAUST grant number(s): OSR-CRG2018-3737 Acknowledgements: This study was supported by a grant from STW/NWO (VIDI 13476). This study is part of the research program of the Foundation of Fundamental Research on Matter (FOM), which is part of the Netherlands Organization for Scientific Research (NWO). This is a publication by the FOM Focus Group “Next Generation Organic Photovoltaics,” participating in the Dutch Institute for Fundamental Energy Research (DIFFER). J.D. acknowledges financial support from the China Scholarship Council. The authors thank the Center for Information Technology of the University of Groningen for their support and for providing access to the Peregrine high performance computing cluster. S.F. acknowledges the support from the Swedish Research Council (2016-03979), Olle Engkvists Stiftelse (204-0256), and the Advanced Functional Materials center at LiU (2009 00971). D.B. acknowledges the support by the King Abdullah University of Science and Technology (KAUST) Office of Sponsored Research (OSR) under Award No. OSR-CRG2018-3737. S.S. and R.W.A.H. acknowledges SURFSara for giving access to the Dutch national supercomputer Cartesius. This work was sponsored by NWO Exact and Natural Sciences for the use of supercomputer facilities (2020/ENW/00852342). The authors greatly thank dr. H.P. (Hjalmar) Permentier from Interfaculty Mass Spectrometry Center, University of Groningen for MALDI-TOF measurement.

PY - 2020/12/11

Y1 - 2020/12/11

N2 - There is no molecular strategy for selectively increasing the Seebeck coefficient without reducing the electrical conductivity for organic thermoelectrics. Here, it is reported that the use of amphipathic side chains in an n-type donor-acceptor copolymer can selectively increase the Seebeck coefficient and thus increase the power factor by a factor of ≈5. The amphipathic side chain contains an alkyl chain segment as a spacer between the polymer backbone and an ethylene glycol type chain segment. The use of this alkyl spacer does not only reduce the energetic disorder in the conjugated polymer film but can also properly control the dopant sites away from the backbone, which minimizes the adverse influence of counterions. As confirmed by kinetic Monte Carlo simulations with the host-dopant distance as the only variable, a reduced Coulombic interaction resulting from a larger host-dopant distance contributes to a higher Seebeck coefficient for a given electrical conductivity. Finally, an optimized power factor of 18 µW m$^{-1}$ K$^{-2}$ is achieved in the doped polymer film. This work provides a facile molecular strategy for selectively improving the Seebeck coefficient and opens up a new route for optimizing the dopant location toward realizing better n-type polymeric thermoelectrics.

AB - There is no molecular strategy for selectively increasing the Seebeck coefficient without reducing the electrical conductivity for organic thermoelectrics. Here, it is reported that the use of amphipathic side chains in an n-type donor-acceptor copolymer can selectively increase the Seebeck coefficient and thus increase the power factor by a factor of ≈5. The amphipathic side chain contains an alkyl chain segment as a spacer between the polymer backbone and an ethylene glycol type chain segment. The use of this alkyl spacer does not only reduce the energetic disorder in the conjugated polymer film but can also properly control the dopant sites away from the backbone, which minimizes the adverse influence of counterions. As confirmed by kinetic Monte Carlo simulations with the host-dopant distance as the only variable, a reduced Coulombic interaction resulting from a larger host-dopant distance contributes to a higher Seebeck coefficient for a given electrical conductivity. Finally, an optimized power factor of 18 µW m$^{-1}$ K$^{-2}$ is achieved in the doped polymer film. This work provides a facile molecular strategy for selectively improving the Seebeck coefficient and opens up a new route for optimizing the dopant location toward realizing better n-type polymeric thermoelectrics.

UR - http://hdl.handle.net/10754/666336

UR - https://onlinelibrary.wiley.com/doi/10.1002/adma.202006694

U2 - 10.1002/adma.202006694

DO - 10.1002/adma.202006694

M3 - Article

C2 - 33306230

SN - 0935-9648

SP - 2006694

JO - Advanced materials (Deerfield Beach, Fla.)

JF - Advanced materials (Deerfield Beach, Fla.)

ER -

Amphipathic Side Chain of a Conjugated Polymer Optimizes Dopant Location toward Efficient N-Type Organic Thermoelectrics.

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