There is a fully funded Ph.D. scholarship at the University of Iceland for 3 years supervised by Dr. Younes Abghoui, Research Assistant Professor at the Science Institute of the University of Iceland. This Ph.D. position is available in computational modelling and is supported through the Icelandic Research Fund.

The project involves density functional theory (DFT) calculations of the electrochemical CO₂ reduction reaction (CO2RR) where new catalyst materials are going to be explored for efficient CO2RR. Thermodynamics of the cathode reaction will be investigated and the free energies for CO₂ adsorption on the surface and its subsequent hydrogenation towards different products will be studied, in addition to investigation of the stability and selectivity. The goal is to identify new electrocatalysts via DFT calculations that can be promising for experimentalists.

Requirements:

• High grades and research experience in the B.Sc. and M.Sc. studies in chemical engineering, chemistry, applied physics, or other closely related subjects from top universities.
• Experience in modelling with ab initio electronic structure theory (at the level of DFT) in the field of catalysis, and preferably experience of electro-catalysis and VASP.
• Experience in AIMD simulations is desirable, but not mandatory.
• The candidate must have excellent communication skills via scientific publications and technical presentations.
• Good knowledge of programming is a plus.

All application materials should be sent as one pdf file to [email protected] before 28th February 2023 with the subject: "PhD position in renewable energy applications". The application should include a CV, a cover letter describing why the candidate should be considered for this position, degrees and transcripts of the B.Sc. and M.Sc. courses and grades, and a list of two professors/advisors that have supervised the student in his/her B.Sc. and/or M.Sc. research project and are willing to provide a letter of recommendation.