PhD Position – Simulation-based development of high-voltage cathode materials for Na-ion batteries

Your Job:

Background and project description:
Sodium-ion batteries are the most promising replacement for currently-used lithium-ion batteries owing to the lower price and availability of sodium salts, for which the resources are unlimited. The aim of this project is to find superior cathode materials for Na-ion batteries. The goal is to improve voltage and stability as well as ionic and electronic conductivity of cathodes. Ab initio-based approaches (such as DFT, AIMD, ab initio thermodynamics and kinetics) will be applied to perform a rapid and reliable screening of various compositions in the search for optimal ones, so that potentially high-performing cathode materials can be found without the need for expensive and time-consuming synthesis of many possible materials.

Your tasks will mainly comprise the following:

• Modeling cathode materials with various compositions
  
• Performing ab initio-based calculations (e.g., DFT and AIMD) on supercomputers
  
• Simulation the influence of substitution and/or doping on voltage, conductivity, and stability of materials by applying multiscale approaches
  
• Finding promising cathodes for Na-ion batteries
  

Your Profile:

• Successfully completed university study (Master) in the field of Physics, Chemistry, Materials Science or a comparable field with an excellent final grade
  
• Good knowledge in the field of quantum mechanics, quantum chemistry and/or modeling
  
• Knowledge in the field of Solid State or Condensed Matter Physics would be beneficial
  
• English (fluent written and spoken) language skills indispensable
  
• Excellent cooperation, communication skills and ability to work in a team
  
• Systematic and structured way of working, including efficient documentation and data processing
  

Our Offer:

We work on the very latest issues that impact our society and are offering you the chance to actively help in shaping the change! We offer ideal conditions for you to complete your doctoral degree:

• The work will be carried out in a strong and motivated team at Forschungszentrum Jülich, which is one of the largest and best-equipped research facilities in Europe and is among the top ten best employers in Germany
  
• You will have the opportunity to participate in project meetings and education events organized in the frame of the project, but also at international/national conferences to present your results and discuss with the community
  
• You will also be able to develop your personal strengths through our extensive training programme (online and regular events) and we encourage you to take advantage of these
  
• Your professional supervision will be provided by Prof. Dr. Payam Kaghazchi who is the head of the modeling team at IEK-1
  
• Your doctoral degree will be pursued at the University of Twente in the Netherlands under Prof. Dr. Payam Kaghazchi´s doctoral supervision..
  
• Information on employment as a doctoral student at Forschungszentrum Jülich GmbH can be found here: http://www.fz-juelich.de/gp/Karriere_Docs
  
• Further development of your personal strengths, e.g. through an extensive range of training courses; a structured program of continuing education and networking opportunities specifically for doctoral researchers via JuDocS, the Jülich Center for Doctoral Researchers and Supervisors: https://www.fz-juelich.de/en/judocs
  
• Targeted services for international employees, e.g. through our International Advisory Service
  

In addition to exciting tasks and the collaborative working atmosphere at Jülich, we have a lot more to offer: https://www.fz-juelich.de/en/careers/julich-as-an-employer/benefits

The position is for a fixed term of 3 years. Pay in line with 75% of pay group 13 of the Collective Agreement for the Public Service (TVöD-Bund) and additionally 60 % of a monthly salary as special payment („Christmas bonus“). Further information on doctoral degrees at Forschungszentrum Jülich (including its various branch offices) is available at https://www.fz-juelich.de/en/careers/phd

We welcome applications from people with diverse backgrounds, e.g. in terms of age, gender, disability, sexual orientation / identity, and social, ethnic and religious origin. A diverse and inclusive working environment with equal opportunities in which everyone can realize their potential is important to us.