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PhD in Chemistry: Computational Nano-Materials and Catalysis

This funding opportunity has expired.

Key facts

Application deadline 18 November 2016
Start date 1 January 2017
Duration 3.5 years
Level of study Postgraduate research
Award type PhD studentship
Number of studentships One

The Cardiff Catalysis Institute within the Cardiff School of Chemistry has a major programme in the field of catalytic science which now makes extensive use of computational modelling techniques.

Cobalt is a material with interesting magnetic properties and potential catalytic applications. This research proposal aims to develop robust computational models to provide quantitative insight at the atomic level into the structures, physico-chemical and magnetic properties of cobalt and cobalt oxide nano-particles and their catalytic potential. The research will focus on a number of areas: (i) The effect of surfactants on nano-particle growth and self-assembly; (ii) Surface oxidation and oxygen diffusion; (iii) The formation of core-shell nano-particles; (iv) Surface reactivity and the effect of the magnetic properties on catalytic pathways and mechanisms.

The computational research carried out in Cardiff University will be closely linked to the work by our experimental collaborators in Paris and Cape Town and the students will have the opportunity to spend time working with colleagues in South Africa as part of a prestigious UK/South Africa PhD exchange programme under the Newton initiative.

Supervisors: Professor Nora de Leeuw & Dr Alberto Roldan


Postgraduate Research Office - Chemistry

Funding details

Tuition fee support Full UK/EU tuition fees
Maintenance stipend Doctoral stipend matching UK Research Council National Minimum

Eligibility criteria

Residency Open to all UK/EU students without further restrictions
Academic criteria

Eligible candidates should have, or expect to obtain, a degree in Chemistry, Materials Science, Physics, or a closely related discipline. Highly motivated and dedicated students will gain a thorough training in computational chemistry and materials science and be rewarded with a highly stimulating project that will help shape the future of this exciting research field.


Postgraduate Research Office - Chemistry

Interested applicants should send a brief covering letter outlining their motivation and experience for the position, as well as their curriculum vitae and the contact details of at least 2 academic referees to Prof Nora de Leeuw, who may also be contacted for informal enquiries and further information.

Applications will be evaluated on an ongoing basis until the position is filled and applicants should therefore apply as soon as possible

Cardiff University reserves the right to close applications early should sufficient applications be received.

We reserve the right to close applications early should sufficient applications be received.


Postgraduate Research Office - Chemistry

Join us from 10:00 - 15:00 on Wednesday 4 December to find out more about postgraduate study at Cardiff University.

Eligible research programmes

Eligible research areas