Rational design of heterogeneous catalysts for sustainable applications

About the Project

Supervisory Team: Dr Sergio Vernuccio and Prof Chris Skylaris

This project aims to rationally design efficient heterogeneous catalysts for sustainable application, including photocatalytic transformation for hydrogen production and CO₂ reduction. Objectives include analysing catalyst surface chemistry, building predictive microkinetic models, and synthesizing new catalyst architectures.

Photocatalytic transformations offer an elegant and powerful route for converting solar energy into chemical energy. These processes enable sustainable pathways such as hydrogen production via water splitting or reforming of organic compounds, as well as the reduction of CO₂ into value-added chemicals. However, conventional photocatalysts, e.g. titanium dioxide, often suffer from low efficiency, particularly due to their limited activity under visible light irradiation.

This project aims to design and develop novel heterogeneous photocatalysts capable of operating efficiently under visible light. To achieve this ambitious goal, we will employ an integrated computational–experimental strategy, combining advanced quantum chemical calculations with microkinetic modelling to guide the discovery and mechanistic understanding of a new class of photocatalytic materials. These theoretical insights will be complemented and validated by targeted experimental investigations.

The successful completion of this project will provide the scientific community with optimized catalytic systems for sustainable hydrogen production from organic feedstocks and offer promising technological solutions to current environmental and energy challenges. By advancing visible-light-driven photocatalysis, the project will contribute to addressing the global energy shortage while fostering broader societal awareness of sustainable hydrogen technologies. In the longer term, the proposed methodology will help illuminate alternative, environmentally responsible approaches to energy generation and resource utilization.

This is a multidisciplinary project involving reaction engineering and first-principle kinetic analyses. You'll benefit from a top-level research environment, as well as acquire skills at the interface between catalysis and microkinetic modelling. We will offer advanced trainings on heterogeneous reaction engineering, microkinetic modelling and DFT software (e.g. VASP, ONETEP, Gaussian09). You'll join a vibrant and well-established research group that is interested in the discovery and design of novel catalytic materials that address fundamental challenges in the chemical, environmental and energy landscape.

Entry requirements

You must have a UK 2:1 honours degree, or its international equivalent, in one of the following: chemical engineering, chemistry, material sciences, a related discipline.

You must have experience in cross-disciplinary work, excellent laboratory and computational skills and a hands-on approach to problem solving. We are looking for highly motivated, committed, and creative individuals, able to work in a team and with excellent communication skills.

Fees and funding

We offer a range of funding opportunities for both UK and international students. Horizon Europe fee waivers automatically cover the difference between overseas and UK fees for qualifying students.

Competition-based Presidential Bursaries from the University cover the difference between overseas and UK fees for top-ranked applicants.

Competition-based studentships offered by our schools typically cover UK-level tuition fees and a stipend for living costs for top-ranked applicants.

Funding will be awarded on a rolling basis, so apply early for the best opportunity to be considered.

How to apply

Apply now. You need to: choose programme type (Research), 2026/27, Faculty of Engineering and Physical Sciences; select Full time or Part time; search for programme PhD Chemical Engineering (6939); add name of the supervisor in section 2.

Applications should include: your CV (resumé), 2 academic references, degree transcripts and certificates to date, English language qualification (if applicable).