Overview
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.
Programme Structure
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.
- R. Su et al., ACS Nano (2014), 8 (4), 3490.
- D. Berger et al., J. Chem. Phys. (2014), 141, 024105
- J. Buckeridge et al., Chem. Mater. (2015), 27 (11), 3844
Key information
Duration
- Full-time
- 36 months
Start dates & application deadlines
01 October 2016 or 01 January 2017
Language
Campus Location
- Cardiff, United Kingdom
Disciplines
Chemistry View 62 other PhDs in Chemistry in United KingdomWhat students do after studying
Academic requirements
We are not aware of any specific GRE, GMAT or GPA grading score requirements for this programme.
English requirements
We are not aware of any English requirements for this programme.
Tuition Fees
-
EU/EEA Applies to you
Applies to youEU/EEA NationalsFree -
Domestic Applies to you
Applies to youCitizens or residentsFree
Funding
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Scholarships Information
Below you will find PhD's scholarship opportunities for PhD in Chemistry: Computational Chemistry.
Available Scholarships
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