PhD position for Fundamental Understanding and Design of Interphases in Future Batteries - Hiring in process/Finished, not possible to apply

The Department of Chemistry - Ångström conducts research and education in the chemistry field. The department has more than 200 employees and has a turnover of 200 million SEK. At the department's six programs, we conduct very successful research of a high international standard. We have a large number of externally funded research projects, often with international cooperation and we see continued good growth in our subject area. The department has education assignments in engineering and civil engineering programs and master's programs. More information is available on our website.

Description of research project and research environment:
The goal of the Ph.D. project is the fundamental understanding of how electrode/electrolyte interphases in Li-ion batteries govern the kinetics of chemical and electrochemical reactions. The methodology is based on the development of theoretical models describing the reactivity of battery electrodes towards interphase-forming functional molecules and the electrolyte itself. The scientific outcome will form the basis for the development of future-generations of rechargeable batteries operating at high voltages. The work will be carried out at Ångström Advanced Battery Centre (ÅABC) and in the Computational Materials Chemistry (CMC) group, which are both parts of the structural chemistry program at Uppsala University.

ÅABC: Ångström Advanced Battery Centre (ÅABC) is housed within the Ångström Laboratory – one of Europe’s best equipped Materials Research Laboratories. ÅABC involves the full-time activities of >70 researchers, of whom 8 are Senior Staff; the remainders are PhD students, postdocs, researchers and assistant professors. The group produces ca. 5 PhD theses annually. It is the leading research environments for the development of electrochemical storage materials and advanced battery technology in the Nordic countries. The focus of research is on modern commercial and next-generation Li-ion batteries, and future battery chemistries such as Na-ion, Li-S, organic electrodes, solid-state, etc. The expertise lies in synthesis of electrode and electrolyte materials and electrochemical testing, but equally important are the development and application of operando characterization, such as vibrational spectroscopy, mass spectrometry, x-ray photoelectron spectroscopy, etc.

CMC: The focus of the research done in the CMC group is e-science for materials chemistry, i.e. molecules + materials + chemistry + computers + software. We develop multi-scale models and methods to bring simulations closer to the complex, large-scale dynamical problems of the real world, in fields such as catalysis, nano-chemistry, and electrochemical energy storage. The methods used in the group include – combinations of – ab initio and semi-empirical quantum -mechanical methods, advanced (reactive) force fields, MD simulations, and computational vibrational spectroscopy. Many projects are made in collaboration with experimental counterparts studying the same or similar materials.

Work duties: We are looking for a motivated and ambitious student for theoretical studies of how different electrochemical conditions affect the buildup of the solid electrolyte interphase in battery applications. To this end, you will use quantum chemical methods combined with dynamic and kinetic simulations to study of electrolyte degradation over model cathode/anode surfaces. Parallel to the theoretical efforts, there are experimental activities using IR, RAMAN and mass spectroscopy for characterization of possible reaction products. The main duty and aim for the theoretical effort will be to study the kinetics and dynamics of the electrochemically driven reaction mechanisms and from this build a database of possible reaction intermediates and their characteristic fingerprints in terms of IR and RAMAN spectra, as well as other electronic properties.

The main duties of doctoral students are to devote themselves to their research studies which includes participating in research projects and third cycle courses. The work duties can also include teaching and other departmental duties (no more than 20%).

Eligibility requirement: A person meets the general admission requirements for third-cycle courses and study programmes if he or she:

• has been awarded a second-cycle qualification, or
• has satisfied the requirements for courses comprising at least 240 credits of which at least 60 credits were awarded in the second cycle, or
• has acquired substantially equivalent knowledge in some other way in Sweden or abroad.

Required qualifications:

• MSc degree in chemistry, physics, material science or equivalent
• very good oral and written proficiency in English.

Desirable qualifications:

• Experience in electrochemistry or material characterization
• Previous experience in quantum-theoretical modeling, molecular dynamics modeling, and/or kinetic modeling

Consideration will also be given to good collaborative skills, drive and independence, and how the applicant, through his or her experience and skills, is deemed to have the abilities necessary for successfully completing the third cycle programme.

Terms of employment: The rules about PhD students are found in the Higher Education Ordinance Chapter 5 §§1-7 and the university's rules and guidelines.

Application procedure: The application should include a statement of research interest, CV, certificates of exams, degrees and grades, a copy of Master thesis, published article or relevant materials, if available. Also, contact information of at least two reference persons should be included.

Uppsala University strives to be an inclusive workplace that promotes equal opportunities and attracts qualified candidates who can contribute to the University’s excellence and diversity. We welcome applications from all sections of the community and from people of all backgrounds.

Salary: According to local agreement (Local collective agreement for doctoral students and students).

Starting date: 2020-06-01 or as otherwise agreed.

Type of employment: Fixed-term for four years.

Scope of employment: 100 %

For further information about the position, please contact: Erik Berg, +46 18-471 3734, erik.berg@kemi.uu.se Peter Broqvist, +46 18-471 3714, peter.broqvist@kemi.uu.se.

You are welcome to submit your application no later than 2020-03-31, UFV-PA 2020/552.

Are you considering moving to Sweden to work at Uppsala University? If so, you will find a lot of information about working and living in Sweden at www.uu.se/joinus. You are also welcome to contact International Faculty and Staff Services at ifss@uadm.uu.se.