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Postdoctoral Researcher in Ab Initio and/or Molecular Dynamics Simulations of Conducting Polymers

Linkoping University, Laboratory of Organic Electronics

Norrköping, Sweden

Background and duties:

Among all organic materials conducting polymers have become the material of choice for many electronic and bioelectronics devices including OLED, photovoltaic cells, ionic and electrochemical transistors, sensors, neural probes and many others. Another area where conductive polymers can be highly competitive is a large-scale energy storage and power electronics utilizing mixed electronic-ionic conductors in devices such as supercapacitors, batteries and fuel cells.

An experimental progress and development of the above devices is difficult without fundamental understanding of the basic material properties. The main aim of the research project is to perform computational studies of conducting polymers (in particular, PEDOT) using ab initio and/or Molecular Dynamics simulations to answer fundamental questions concerning morphology, polymerization, ion diffusion, role of water and solvents; mechanisms, pathways and kinetics of oxidation and reduction reactions in these materials; electronic capacitance, and many others. The theoretical work will be performed in a multidisciplinary environment with strong interaction with experimental groups in the Laboratory, where the obtained theoretical results will help to understand and guide the material engineering and device design for better and enhanced performance.

Qualifications:

The applicant must have, or be about to receive a doctoral degree in a subject relevant to the research project (e.g. physics, applied physics, chemistry, theoretical chemistry, biophysics, etc.) and needs to be passionate about research. Problem solving ability and creativity, as well as the ability to work independently are essential. Another prerequisite is knowledge and good skills in programming. Experience with ab initio and/or Molecular Dynamics simulations is desirable.

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