Roldan Research Group

Alberto Roldan Research Group

Dr Roldan's research group is part of the Cardiff Catalysis Institute (CCI) at the School of Chemistry of Cardiff University. His group aims to understand the dynamism of surface processes that underlie phenomena such as catalysis and corrosion. The group employs a range of computational tools to simulate physical and chemical properties of materials with a special interest in heterogeneous catalysts. The combination of multi-scale modelling allows to include macroscopic working conditions minimising the gap simulation-experiment. For instance, the use of micro-kinetic simulations allows them to model specific conditions of temperature and species concentrations, including the catalyst composition and morphology, hence, providing light to the structure-activity-resilience relationships under a large range of reactor conditions.

Themes & Topics

The main interest for his research is the optimization of catalytic processes on heterogeneous systems, extended surfaces and nanostructures. Particularly we are interested in:

  1. Capture and utilization of CO2
  2. H2-carriers decomposition on metallic systems
  3. Renewable and clean energy: Fuel cells, Biomass conversion
  4. Nanostructures on-demand, coalescence and oxidation

In the quest to gain the understanding of these aspects, we evaluate the balance between kinetics and thermodynamics relying on computational technologies to simulate the reactor conditions. These have demonstrably led to reductions in development costs, shorter time-to-market, and the design and development of more efficient materials.