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Design and Simulation of Organic Radicals for Next-Generation Solar Cells and Light-Emitting Diodes

Department of Chemistry

Friday, January 08, 2021 Funded PhD Project (European/UK Students Only)

About the Project

The UCL Chemistry Department is offering a fully funded studentship for three years to a highly motivated candidate to start in September 2021. The student will carry out his/her doctoral research at UCL.

Researching with Dr Tim Hele, the successful applicant will undertake theoretical and computational research into next-generation molecules for photovoltaics and organic light-emitting diodes (OLEDs). Recent advances have shown that radicals (molecules with one or more unpaired electrons) can make highly efficient OLEDs but little is known about the limits (if any) of their scope and functionality.

Avenues of research include:
1. Investigating the limits in frequency (colour) of absorption through molecular design, theory and computation
2. Determining limits (if any) on the intensity of absorption
3. Researching the mechanism of emission and how molecular design can increase its efficiency and reduce unwanted loss pathways such as internal conversion
4. Simulating the electronically non-adiabatic dynamics of radical chromophores
5. Design and simulation of radicals for efficient photovoltaics

Applicants should have
1. An interest in computational or theoretical chemistry, especially electronic structure theory, quantum mechanics and/or optoelectronics.
2. Ability to write and run computer code or a willingness to learn
3. Ability to undertake scientific research to a high standard and communicate the results of their research clearly

The applicants should have, or be expecting to achieve, a first or upper second class Honours degree or equivalent in chemistry, physics, or a related discipline.

Interested candidates should initially contact Dr Hele via with a degree transcript and a motivation letter expressing interest in this project. Informal inquiries are encouraged. Suitable applicants should complete an electronic application form at They will be invited for the interview no more than 4 weeks after the application deadline Any admissions queries should be directed to Dr Jadranka Butorac at .

Applications will be accepted until 5pm on Friday 8th January 2021.

Funding Notes

Applications are welcome from UK and EU applicants and overseas students with indefinite leave to remain or enter. The studentship only covers home tuition fees. Please note that we are currently seeking clarity from the Department for Education on how EU students with pre-settled and settled status will be considered in terms of fee status.

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