PhD scholarship on computational materials design, Denmark

Deadline: 29 July 2011
Open to: Master’s degree holders in physics, chemistry or materials science or a similar degree with an academic level equivalent to the master’s degree in engineering

The Materials Research Division at Risø DTU, is seeking candidates for a PhD scholarship on computational materials design in the Energy Storage and Conversion group. The scholarship is part of a joined project with the company Amminex A/S on “New Materials for Ammonia Storage” funded by the Danish National Advanced Technology Foundation“, and also involves collaboration with the Center for Atomic-scale Materials Design (CAMD).

The project

The development of a sustainable energy infrastructure is going to require carbon-free/neutral energy carriers, which can be stored and transported efficiently and safely. Ammonia is a promising energy carrier that can be store reversibly in metal halides, which combine efficient storage with safe handling. These so-called metal ammines are also used for selective catalytic reduction (SCR) systems for exhaust cleaning in diesel passenger cars SCR (deNOx).
The aim of project is to tailor and improve the materials properties by mixing different salts or introducing dopants on the atomic level. Here, advanced computational methods, which combine density functional theory (DFT) calculations on model structures and database methods with supercomputing facilities in large screening studies will be applied, to select optimal materials combinations for:

  • improved ammonia storage in selective catalytic reduction (SCR) systems
  • for exhaust cleaning in diesel passenger cars, and for improved integration of fuel cells (FC) for ammonia fed zero-carbon power generation

 

The predicted materials combinations will subsequently be synthesized, characterized and integrated into full systems.

Eligibility

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 project. Candidates with experience in computational/theoretical physics, chemistry and related areas shall be favoured.

Remuneration

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 September 2011.

Application

You  must send your online application by 29 July 2011. Please open the link THIS LINK, fill in the application form and attach the following documents;

  • 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 (see guidelines and excel spreadsheet here)
  • 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.

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

The Official Web page

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