PhD position in design and modelling of novel electrocatalyst systems.
Duration: 4 years.
Gross salary: approx. 17 k€/year for the first two years, 18.2 k€/year in the third year and
22.8 k€/year in the fourth year.
Working place: San Sebastián (Spain) with some visits to Barcelona (Spain).
Funding: MORECAT project funded by MICIUN (Spain) via a PhD grant of the FPI type.
PhD advisors:
• Dr. Federico Calle-Vallejo (federico.calle@ehu.es), University of the Basque Country.
https://scholar.google.com/citations?hl=en&user=Ehc5tVAAAAAJ
• Prof. Stefan Bromley (s.bromley@ub.edu), University of Barcelona.
https://scholar.google.com/citations?hl=en&user=GRcDA5cAAAAJ
Context: the MORECAT project will focus on the computational design and evaluation of a
new class of sustainable low dimensional electrocatalysts. The proposed electrocatalyst
systems are based on the general concept of combining organic redox mediators and metals
in novel synergistic materials. The performance of these systems will be modelled for a
selection of environmentally and technologically important electrocatalytic reactions with
direct relevance to i) clean energy (e.g. fuel cells, batteries): the hydrogen oxidation and
evolution reactions (HOR/HER), the oxygen reduction reaction (ORR) and ii) climate change
(e.g. reducing greenhouse gas emissions): CO2 reduction (CO2RR).
Project: The research project will be fully computational and carried out at the University of
the Basque country. Interaction with experimental partners of the host groups is anticipated.
In addition, some research visits to the University of Barcelona are planned. The project will
include (but is not restricted to) the use of DFT calculations for designing new hybrid
electrocatalyst materials, modelling electrochemical reactions, and thermodynamic and
microkinetic modelling of electrocatalytic processes.
Qualifications: Candidates holding a MSc degree should have a solid background in
Chemistry, Physics, Chemical Engineering or Materials Science. Knowledge of basic
electrochemistry is a plus. Previous experience with electronic structure calculations (e.g.
DFT) is also highly appreciated. Experience in bash scripting, python and the atomic
simulation environment (ASE) is desirable. Excellent communication skills in English
(listening, speaking, writing, and reading) are a must. However, candidates do not need to
be able to speak Spanish, Basque or Catalan to apply or carry out their PhD project.
Location: The Nano-Bio spectroscopy group is located at the University of the Basque
Country (Korta building, Gipuzkoa campus, San Sebastián). IQTC is located at the University
of Barcelona (Barcelona, Spain).
Application: Please send an email application including a 1-page cover letter, a short CV,
and the contact details of two referees. Please address your email to federico.calle@ehu.es
and write in the subject “MORECAT PhD position”.