Closing Date: 31/08/2016; Start Date: 01/10/2016; Duration: 3 years

Funding Amount: UK/EU tuition fees plus stipend; Regions: EU (Non UK), UK

Applicants are invited for a studentship-funded PhD position in computational chemistry in the newly formed group of Dr. Andrew Logsdail at the Cardiff University. The PhD student will investigate emergent research topics in materials chemistry and heterogeneous catalysis using computational techniques, in close collaboration with on-going experimental work at the Cardiff Catalysis Institute.

In particular, the project will use hybrid QM/MM embedded-cluster modelling to study the structure, stability and reactivity of precious-metal (Au, Ag, Pd) nanoparticles, supported on both pristine and defective metal oxide surfaces, such as TiO₂. Such systems are of particular current interest for photocatalytic hydrogen generation [1-3] and therefore a focus of the work will be on identifying key attributes of the nanoparticle-surface interaction that may impact the catalytic capabilities of the systems.

• Su et al., ACS Nano (2014), 8 (4), 3490.
• Berger et al., J. Chem. Phys. (2014), 141, 024105
• Buckeridge et al., Chem. Mater. (2015), 27 (11), 3844

Funding

One studentship is available. Full awards (fees plus maintenance stipend) are open to UK Nationals and EU students without further restrictions. This studentship consists of full UK/EU tuition fees, as well as a Doctoral Stipend matching UK Research Council National Minimum (£14,057 p.a. for 2015/16, updated each year).

Eligibility Eligibility

Academic criteria: Candidates should have, or expect to receive, a 2:1 or better in a closely-related subject (Chemistry, Physics, Materials Science) and an interest in materials chemistry and/or heterogeneous catalysis. Previous experience with computational modelling techniques is preferable but not necessary, as training will be provided.

How to Apply

In the first instance, you should submit a CV & Covering Letter to [email protected]. The deadline for applications is 31 August 2016, however Cardiff University reserves the right to close applications early should sufficient applications be received.