PhD Scholarship in Computational Electrocatalysis, Technical University of Denmark

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The Energy Storage and Conversion group at the Materials Research Division - Risø DTU is seeking candidates for a PhD scholarship in computational analysis of electrocatalytic reaction mechanisms for fixation of CO2 and N2 into fuels. The PhD project is part of the ambitious Danish initiative Catalysis for Sustainable Energy ( and associated with Center for Atomic-scale Materials Design (CAMD) at DTU Physics (

Job description
The successful candidate will apply computational methods based on density functional theory (DFT) to identify reaction mechanisms which control the electrochemical reduction of CO2 to hydrocarbons and N2 to ammonia using proton conductors and electrocatalysts. The project is focused on the proton transfer across the electrolyte/electrocatalyst interface, in order to provide a better understanding of the electrolyte/electrocatalyst interplay and to establish an optimal combination of electrolytes and electrocatalysts. The project will be closely linked to other computational and experimental projects working on prediction and testing of novel electrocatalysts and proton conductors.

Candidates should have a master’s degree in physics, chemistry or materials science or a similar degree with an academic level equivalent to the master’s degree in engineering.

The successful candidate has good communication skills in English, both written and spoken, and is able to work independently and take responsibility for progress and quality of projects. We favor candidates with experience in computational/theoretical physics, chemistry and related areas.

We offer
We offer an interesting and challenging job in an international environment focusing on education, research, public-sector consultancy and innovation, which contribute to enhancing the economy and improving social welfare. We strive for academic excellence, collegial respect and freedom tempered by responsibility. The Technical University of Denmark (DTU) is a leading technical university in northern Europe and benchmarks with the best universities in the world.

Approval and Enrolment
The scholarships for the PhD degree are subject to academic approval, and the candidates will be enrolled in one of the general degree programmes of DTU. For information about the general requirements for enrolment and the general planning of the scholarship studies, please see the DTU PhD Guide.

Salary and appointment terms
The salary and appointment terms are consistent with the current rules for PhD degree students. The period of employment is 3 years. The employment is expected to start 1 February 2012. The place of work is Risø Campus in Roskilde, Denmark.

Further information
If you need further information concerning this position, please contact Senior Researcher Tejs Vegge, +45 4677 5818, (please do not send applications to this e-mail address, but use the electronic submission system - see below).

You can read more about DTU on and Risø DTU on

We must have your online application by 15 December 2011.

  • A letter motivating the application (cover letter)
  • Curriculum vitae
  • Grade transcripts and BSc/MSc diploma
  • Excel sheet with translation of grades to the Danish grading system

Candidates may apply prior to obtaining their master’s degree, but cannot begin before having received it.

All interested candidates irrespective of age, gender, race, disability, religion or ethnic background are encouraged to apply

For more information, please visit official website:

Disclaimer: Every effort has been made to ensure the above information is current and correct. However, applicants should contact the appropriate administering body before making an application, as details do change frequently.


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