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Modelling charge transport in doped polymeric semiconductors

Funding
Funded
Study mode
Full-time
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Subject area
Chemistry
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Overview

The group of Prof. Alessandro Troisi is now seeking Doctoral applicants to take part to the Marie Sklodowska-Curie Training Network programme FADOS (part of a cohort of 17 Doctoral students scattered among 16 European institutions). The student will develop suitable model for the study of the highly relevant class of doped polymeric semiconductors with application ranging from energy storage and generation to bioelectronics.

About this opportunity

The objectives of the project are (i) to develop a model reduction scheme that enables the description of charge transport in the presence of (gradient of) dopants from atomistic models of realistic models; (ii) to  exploit the model to describe the relation between chemical composition and electrical transport and mechanical properties; (iii) to devise in-silico strategies for the optimization of materials and dopants. Within the broad objective a range of methodologies can be used including but not limited to classical simulation, hybrid quantum mechanical and classical models, phenomenological models (kinetics, quantum dynamics). There is flexibility to adapt the project to the scientific interest of the PhD student exploiting the broad network of collaborators. The project will include two secondments provisionally taking place at (1) the University of Heidelberg (Germany), hosted by Prof. M. Kemerink) and (2) Universidate Da Coruna (Spain), hosted by Dr. J. Pérez.

 

The host group specializes in the study of charge and energy transport in organic materials, high-throughput virtual screening and machine learning application to materials discovery.  Additional information is available at https://www.liverpool.ac.uk/people/alessandro-troisi

Relevant publications in the area of this research include DOI: 10.1039/D5MH00485C  and DOI: 10.1021/acs.jctc.3c01417

 

FADOS, Fundamentals and Applications of Doped Organic Semiconductors, is a consortium composed of eight universities, four research institutes, and four companies from EU countries, the UK and Switzerland.

The mission of FADOS is to achieve targeted modification of semiconductor properties through electronic doping to control and modify its electronic characteristics. The project’s goal is to develop fundamental understanding and innovative fabrication processes to solve urgent problems in organic electronic devices, and enable new components with sustainable functionalities. Collaboration with industry partners will enhance the translation of research into real-world applications. This studentship is one of the 17 offered by this international consortium.

 

Additional Eligibility criteria for FADOS programme:

  • At the time of recruitment, be in the first four years of their research career and have not been awarded a doctoral degree.
  • Mobility rule: The applicant must not have resided or carried out their main activity (work, studies, etc.) in the United Kingdom for more than 12 months in the 3 years immediately prior to the recruitment. Compulsory national service, short stays such as holidays, and time spent as part of a procedure for obtaining refugee status under the Geneva Convention are not taken into account.
  • The applicant can be of any nationality.

Further reading

DOI: 10.1039/D5MH00485C  ; DOI: 10.1021/acs.jctc.3c01417  ; DOI: 10.1039/D5MH01079A

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Who is this for?

Applications are welcomed from candidates with a MSc degree (or equivalent, including candidates who are about to complete their degrees) in chemistry, physics, material science, or related fields. In addition to the above, the applicant must have an interest in theoretical research in chemistry or solid state physics, demonstrated by involvement with suitable undergraduate projects.

 

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How to apply

  1. 1. Contact supervisors

    Please review our guide on How to apply for a PhD | Postgraduate research | University of Liverpool carefully and complete the online postgraduate research application form to apply for this PhD project.

    Please ensure you include the project title and reference number CCPR164 when applying.

    Informal enquiries (with enclosed CV) are welcome and should be addressed to Prof. Alessandro Troisi a.troisi@liverpool.ac.uk

  2. 2. Prepare your application documents

    You may need the following documents to complete your online application:

    • A research proposal (this should cover the research you’d like to undertake)
    • University transcripts and degree certificates to date
    • Passport details (international applicants only)
    • English language certificates (international applicants only)
    • A personal statement
    • A curriculum vitae (CV)
    • Contact details for two proposed supervisors
    • Names and contact details of two referees.
  3. 3. Apply

    Finally, register and apply online. You'll receive an email acknowledgment once you've submitted your application. We'll be in touch with further details about what happens next.

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Funding your PhD

A competitive salary in the range £44000-£52000 p.a. in accordance with the MSCA regulations for Doctoral Researchers will be offered, including a living allowance, a mobility allowance, and a family allowance (if applicable).  Expected start date will around 1st Feb 2026 (with some flexibility). Salary is available for 36 months. The successful applicant will be enrolled to the Doctoral Programme of the University of Liverpool that allows submission of the PhD thesis between month 36 and month 42 from the initial enrolment date.

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Contact us

Have a question about this research opportunity or studying a PhD with us? Please get in touch with us, using the contact details below, and we’ll be happy to assist you.

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