PhD in material science – Theory and principles of organic luminescent radicals

We are seeking a PhD student for an exciting research project on organic luminescent radicals (OLRs) for advanced applications in OLED technology, sensors, and security marking. Join a dynamic research environment and help develop the technology of the future!

Research area and work assignments

Organic luminescent radicals (OLRs) are quite rare emitters demonstrating doublet-doublet fluorescence and having a number of advantages towards practical applications in organic light emitting diodes (OLEDs), ratiometric fluorescence sensors and anti-counterfeiting labelling. The doublet-doublet fluorescence by OLRs is a spin-allowed process similar to the general singlet-singlet fluorescence. However, in contrast to closed-shell molecules for which “bright” excited singlet states are higher in energy than “dark” triplet states, the doublet excited states of OLRs are always lower in energy than the quartet states. That is why the theoretical limit for internal quantum efficiency of OLR-based OLEDs is expected to be 100%. This research project focuses on rational design and synthesis of polyaromatic macroheterocycles called hetero[8]circulenes as precursors for novel class of OLRs. Among expected advantages of hetero[8]circulene-based OLRs there are colour tunability (incl. blue emission), high chemical, thermal and electrical stability, sustainability of reagents and low cost price.

Current project aims, among others, to develop a general theory of radical emission based on modern quantum-chemical approaches (including calculations of radiative doublet-doublet fluorescence and doublet-quartet phosphorescence and of non-radiative doublet-doublet internal conversion and inter-system crossing pathways of dissipation of the excitation energy). The PhD studies will thus include computational modelling of structure and optical properties of organic luminescent radicals by using quantum-chemical methods like density functional theory (DFT), time-dependent DFT, ab-initio approximations (like CASPT2) etc. The studies will be performed in a highly collaborative research environment with involvement of experts in organic synthesis and OLED fabrication from host group.

As a PhD student, you devote most of your time to doctoral studies and the research projects of which you are part. Your work may also include teaching or other departmental duties, up to a maximum of 20% of full-time.

Your qualifications

You have graduated at Master’s level material science, physical chemistry, chemical physics, applied physics, material chemistry, or a related field or completed courses with a minimum of 240 credits, at least 60 of which must be in advanced courses. Alternatively, you have gained essentially corresponding knowledge in another way.

Experience in quantum-chemical simulations of structural and electronic properties of small molecules is a merit. Expertise in high-performance computing and skills in programming are highly appreciable. Desirable personal skills and traits for the position are highly motivated, ambitious, problem-solving skills and teamwork ability. Research at the Laboratory of Organic Electronics is carried out predominantly in English, so fluency is favourable.

Great emphasis will be placed on personal qualities and suitability.

Your workplace

Linköping University (LiU) conducts world-leading, cross-disciplinary research in fields that include materials science, IT and life science technology. LiU is one of the largest universities in Sweden and today has 27,000 students and 4,000 employees. The students are among the most desirable in the labour market and international rankings consistently place LiU as a leading global university. Read more at http://www.liu.se

The Laboratory of Organic Electronics (LOE) belongs to the Department of Science and Technology and is renowned for its world-leading research on electronic and optical devices based on organic materials. Its primary theme involves the coupling of ions and electrons as signal carriers for applications in organic bioelectronics, printed electronics, organic energy and electrochemical devices, and nanooptics. Currently, the research staff of the Laboratory includes about 150 researchers (professors, senior and junior scientists and PhD students), see http://liu.se/loe for detail.

The group of Materials Design and Optimization is an international team led by Assoc. Prof. Glib Baryshnikov and is part of LOE. We design the materials for organic electronics applications including dyes for solar cells, emitters for OLEDs, room temperature phosphorescent systems for ratiometric sensing etc. Assoc. Prof. Glib Baryshnikov is the recipient of the ERC Starting Grant 2023 and current PhD position is fully funded from this grant.

The employment

When taking up the post, you will be admitted to the program for doctoral studies. More information about the doctoral studies at each faculty is available at Doctoral studies at Linköping University

The employment has a duration of four years’ full-time equivalent. You will initially be employed for a period of one year. The employment will subsequently be renewed for periods of maximum duration two years, depending on your progress through the study plan. The employment may be extended up to a maximum of five years, based on the amount of teaching and departmental duties you have carried out. Further extensions can be granted in special circumstances.

Starting date by agreement.

Salary and employment benefits

The salary of PhD students is determined according to a locally negotiated salary progression. Starting salary for our PhDs are 33 900 SEK/month.

More information about employment benefits at Linköping University is available here.

Union representatives

Information about union representatives, see Help for applicants.

Application procedure

Apply for the position by clicking the “Apply” button below. Your application must reach Linköping University no later than November 22, 2024.

Applications and documents received after the date above will not be considered.