Modelling Single Atom Catalyst

The development of novel materials is the driving force of the incoming energy transition. Catalysis plays a fundamental role, being involved in more than 90% of the industrial chemical processes. Most catalysts are based on noble and critical materials, raising severe problems of availability and overall sustainability. In the last decade research attempted to develop a new family of catalysts, named Single Atom Catalysts. These systems are made by transition metal atoms atomically dispersed to some solid matrices.