Stamatakis Research Group

Multiscale Computational Catalysis & Materials Science

Our Mission

The energy problem, environmental and health issues, as well as the recent economic struggles pose major challenges for current societies. Catalysis and materials science can play a major role in overcoming such challenges with the engineering of tailored materials suitable for applications such as the conversion of renewable feedstocks into chemicals and fuels, the storage of hydrogen, or the utilisation of CO2. Such applications are key in the development of efficient technologies and the improvement of the quality of life.

Our research efforts aim towards obtaining a fundamental understanding of the underlying physico-chemical processes during catalysis and materials synthesis. We develop and use multiscale computational methods to model, simulate and predict the properties of materials for desired applications.

Latest News

  • Cover art for the June 2021 issue of Catalysis Science & Technology. 08/06/2021: Our paper titled “The Catalytic Decomposition of Nitrous Oxide and the NO + CO Reaction over Ni/Cu Dilute and Single Atom Alloy Surfaces: First-principles Microkinetic Modelling” is featured in the front cover of Catalysis Science & Technology. Congratulations, Kostas!
  • 25/05/2021: Our recent collaborative paper with the Sykes lab on “Mechanistic insights into carbon–carbon coupling on NiAu and PdAu single-atom alloys” is now published online in The Journal of Chemical Physics. Congratulations to Romain and all the contributors of this work!
  • 09/03/2021: Our paper titled “Directing reaction pathways via in situ control of active site geometries in PdAu single-atom alloy catalysts” has been published in Nature Communications. Congratulations to Kostas and all the contributors of this work!
  • 04/03/2021: Congratulations to Kostas for a successful PhD Defense! His contributions have furthered our understanding on the structure and catalytic properties of single-atom and highly dilute alloys and open up exciting avenues for catalyst engineering for emissions control technologies and other applications!