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Designing Conjugated Polymers for Photocatalysis and Ion Transport

Total Cost €


EC-Contrib. €






Project "CAPaCITy" data sheet

The following table provides information about the project.


Organization address
city: LONDON
postcode: SW7 2AZ

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country United Kingdom [UK]
 Total cost 2˙351˙550 €
 EC max contribution 2˙351˙550 € (100%)
 Programme 1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC))
 Code Call ERC-2016-ADG
 Funding Scheme ERC-ADG
 Starting year 2017
 Duration (year-month-day) from 2017-10-01   to  2022-09-30


Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 


 Project objective

Solar energy conversion will play an essential role in the future supply of clean energy. Secure access to energy sources will require energy conversion technologies that are low impact, distributed and accessible both technically and financially. Molecular electronic materials embody these possibilities, offering facile synthesis, low energy production and the versatility to allow performance to be maximized for specific applications. Moreover, they bring appealing similarities with nature’s intrinsically low impact energy conversion materials. Whilst molecular semiconductors have been studied in detail for solar-to-electric energy conversion they have seldom been studied for solar-to-chemical conversion or for charge storage. However, they bring exciting potential advantages in terms of their light harvesting properties, the range of microstructures possible and the ability to tune their electrical properties. Polymer materials applied to solar chemical generation could open up an innovative route to artificial fuels, with the option to control light harvesting and charge separation through structural control. Polymer materials applied to mixed (electronic / ionic) conduction provide a route to lower cost electrochemical storage, as well as to biocompatible devices and sensors. Stimulated by recent experimental breakthroughs in the application of polymers as photocatalysts and ion transport media I will exploit my expertise in multi-scale modelling and functional characterization of molecular electronic materials and devices to develop a design framework for energy conversion and storage in conjugated polymer materials. This proposal aims to disentangle the parameters that govern the performance of conjugated polymer based photocatalysts and ion transport media to discover the underlying functional mechanisms. The tools generated will serve to enable the design and development of high performance materials for energy conversion devices.


year authors and title journal last update
List of publications.
2018 Beth Rice, Anne A. Y. Guilbert, Jarvist M. Frost, Jenny Nelson
Polaron States in Fullerene Adducts Modeled by Coarse-Grained Molecular Dynamics and Tight Binding
published pages: 6616-6623, ISSN: 1948-7185, DOI: 10.1021/acs.jpclett.8b02320
The Journal of Physical Chemistry Letters 9/22 2019-06-07
2019 Mohammed Azzouzi, Thomas Kirchartz, Jenny Nelson
Factors Controlling Open-Circuit Voltage Losses in Organic Solar Cells
published pages: 49-62, ISSN: 2589-5974, DOI: 10.1016/j.trechm.2019.01.010
Trends in Chemistry 1/1 2019-06-07
2019 Xingyuan Shi, Vojtech Nádaždy, Aleksandr Perevedentsev, Jarvist M. Frost, Xuhua Wang, Elizabeth von Hauff, Roderick C. I. MacKenzie, Jenny Nelson
Relating Chain Conformation to the Density of States and Charge Transport in Conjugated Polymers: The Role of the β -phase in Poly(9,9-dioctylfluorene)
published pages: , ISSN: 2160-3308, DOI: 10.1103/physrevx.9.021038
Physical Review X 9/2 2019-06-07
2018 Michael Sachs, Reiner Sebastian Sprick, Drew Pearce, Sam A. J. Hillman, Adriano Monti, Anne A. Y. Guilbert, Nick J. Brownbill, Stoichko Dimitrov, Xingyuan Shi, Frédéric Blanc, Martijn A. Zwijnenburg, Jenny Nelson, James R. Durrant, Andrew I. Cooper
Understanding structure-activity relationships in linear polymer photocatalysts for hydrogen evolution
published pages: , ISSN: 2041-1723, DOI: 10.1038/s41467-018-07420-6
Nature Communications 9/1 2019-06-07
2019 S. D. Dimitrov, M. Azzouzi, J. Wu, J. Yao, Y. Dong, P. Shakya Tuladhar, B. C. Schroeder, E. R. Bittner, I. McCulloch, J. Nelson, J. R. Durrant
Spectroscopic Investigation of the Effect of Microstructure and Energetic Offset on the Nature of Interfacial Charge Transfer States in Polymer: Fullerene Blends
published pages: 4634-4643, ISSN: 0002-7863, DOI: 10.1021/jacs.8b11484
Journal of the American Chemical Society 141/11 2019-06-07
2019 Davide Moia, Alexander Giovannitti, Anna A. Szumska, Iuliana P. Maria, Elham Rezasoltani, Michael Sachs, Martin Schnurr, Piers R. F. Barnes, Iain McCulloch, Jenny Nelson
Design and evaluation of conjugated polymers with polar side chains as electrode materials for electrochemical energy storage in aqueous electrolytes
published pages: 1349-1357, ISSN: 1754-5692, DOI: 10.1039/c8ee03518k
Energy & Environmental Science 12/4 2019-06-07
2019 Francesco Salerno, Beth Rice, Julia A. Schmidt, Matthew J. Fuchter, Jenny Nelson, Kim E. Jelfs
The influence of nitrogen position on charge carrier mobility in enantiopure aza[6]helicene crystals
published pages: 5059-5067, ISSN: 1463-9076, DOI: 10.1039/c8cp07603k
Physical Chemistry Chemical Physics 21/9 2019-06-07
2018 Alexander Giovannitti, Iuliana P. Maria, David Hanifi, Mary J. Donahue, Daniel Bryant, Katrina J. Barth, Beatrice E. Makdah, Achilleas Savva, Davide Moia, Matyáš Zetek, Piers R.F. Barnes, Obadiah G. Reid, Sahika Inal, Garry Rumbles, George G. Malliaras, Jenny Nelson, Jonathan Rivnay, Iain McCulloch
The Role of the Side Chain on the Performance of N-type Conjugated Polymers in Aqueous Electrolytes
published pages: 2945-2953, ISSN: 0897-4756, DOI: 10.1021/acs.chemmater.8b00321
Chemistry of Materials 30/9 2019-06-07
2018 Beth Rice, Luc M. LeBlanc, Alberto Otero-de-la-Roza, Matthew J. Fuchter, Erin R. Johnson, Jenny Nelson, Kim E. Jelfs
Correction: A computational exploration of the crystal energy and charge-carrier mobility landscapes of the chiral [6]helicene molecule
published pages: 9410-9410, ISSN: 2040-3364, DOI: 10.1039/c8nr90093k
Nanoscale 10/19 2019-06-07
2019 Mohammed Azzouzi, Antonio Cabas-Vidani, Stefan G. Haass, Jason A. Röhr, Yaroslav E. Romanyuk, Ayodhya N. Tiwari, Jenny Nelson
Analysis of the Voltage Losses in CZTSSe Solar Cells of Varying Sn Content
published pages: 2829-2835, ISSN: 1948-7185, DOI: 10.1021/acs.jpclett.9b00506
The Journal of Physical Chemistry Letters 2019-06-07
2018 Mohammed Azzouzi, Jun Yan, Thomas Kirchartz, Kaikai Liu, Jinliang Wang, Hongbin Wu, Jenny Nelson
Nonradiative Energy Losses in Bulk-Heterojunction Organic Photovoltaics
published pages: , ISSN: 2160-3308, DOI: 10.1103/physrevx.8.031055
Physical Review X 8/3 2019-06-07
2019 Flurin D. Eisner, Mohammed Azzouzi, Zhuping Fei, Xueyan Hou, Thomas D. Anthopoulos, T. John S. Dennis, Martin Heeney, Jenny Nelson
Hybridization of Local Exciton and Charge-Transfer States Reduces Nonradiative Voltage Losses in Organic Solar Cells
published pages: 6362-6374, ISSN: 0002-7863, DOI: 10.1021/jacs.9b01465
Journal of the American Chemical Society 141/15 2019-06-07
2019 Kirstin Alberi, Marco Buongiorno Nardelli, Andriy Zakutayev, Lubos Mitas, Stefano Curtarolo, Anubhav Jain, Marco Fornari, Nicola Marzari, Ichiro Takeuchi, Martin L Green, Mercouri Kanatzidis, Mike F Toney, Sergiy Butenko, Bryce Meredig, Stephan Lany, Ursula Kattner, Albert Davydov, Eric S Toberer, Vladan Stevanovic, Aron Walsh, Nam-Gyu Park, Alán Aspuru-Guzik, Daniel P Tabor, Jenny Nelson, James Murphy, Anant Setlur, John Gregoire, Hong Li, Ruijuan Xiao, Alfred Ludwig, Lane W Martin, Andrew M Rappe, Su-Huai Wei, John Perkins
The 2019 materials by design roadmap
published pages: 13001, ISSN: 0022-3727, DOI: 10.1088/1361-6463/aad926
Journal of Physics D: Applied Physics 52/1 2019-06-07

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