Supervisors: Dr Natalia Martsinovich (Chemistry) and Prof Siddharth Patwardhan (Chemical Engineering), University of Sheffield

Project details:

This joint computational and experimental project is focussed on developing efficient TiO₂-based photocatalysts for breakdown of aromatic pollutants in water. You will synthesize TiO₂ photocatalysts using bioinspired methods, and design molecular surface modifiers to enhance the binding of aromatic pollutants and thus to assist the pollutants photocatalytic destruction.

The objectives are:

• To develop a sustainable method for the synthesis of porous TiO₂ photocatalysts by learning from biological mineralisation.

• To design surface modifier molecules that adsorb on TiO₂ to enhance the binding of aromatic pollutants, using computational methods.

• To evaluate the pollutant adsorption and breakdown on the engineered photocatalysts.

You will carry out a combination of computational studies (modelling the binding between modifier-TiO₂ and pollutant-modifier to identify strongly bound systems, using density-functional theory and force field calculations) and experiments (preparation of porous TiO₂ particles, adsorption of surface modifier molecules, measurements of rates of photocatalytic degradation of pollutants), to achieve efficient breakdown of pollutants.

The project will be coordinated by two supervisors with expertise in the theoretical (Dr Natalia Martsinovich) and experimental (Prof Siddharth Patwardhan) aspects of the research. You will join the vibrant PhD communities in the Departments of Chemistry and Chemical Engineering at the University of Sheffield.

This project is funded by the Grantham Centre for Sustainable Futures.  In addition to research, you will participate in the Grantham Scholars PhD training programme, which has been designed to help you develop awareness of sustainability and learn to engage with industry, the media and policy-makers to promote sustainability and environment matters.

Eligibility:

You should have a good degree in Chemistry, Materials Science, Chemical Engineering or a related subject. Experience in computational modelling is essential.

Funding notes:

This 4-year studentship will be fully funded at Home/EU or international rates.  Students will receive an annual stipend of £17,336, as well as cover of tuition fees and research costs. The start date is October 2018.

Applying:

To apply on-line go to http://www.sheffield.ac.uk/postgraduate/research/apply/applying. Select 'Standard PhD' and the Department of Chemistry. Please note that your application should be accompanied by a CV and a 200 word supporting statement.  Your statement should outline your aspirations and motivation for studying in the Grantham Centre, outlining any relevant experience.

The deadline for applications is Monday 26^th March 2018.

Further details:

For more information about the project, please contact Dr Natalia Martsinovich ([email protected]) or Prof Siddharth Patwardhan ([email protected]). For more information on the Grantham Centre go to http://grantham.sheffield.ac.uk/about/.