• Cobalt is a material with interesting magnetic properties and potential catalytic applications. This research proposal aims to develop robust computational models to provide quantitative insight at the atomic level into the structures, physico-chemical and magnetic properties of cobalt and cobalt oxide nano-particles and their catalytic potential.Ê
  • The research will focus on a number of areas: (i) The effect of surfactants on nano-particle growth and self-assembly; (ii) Surface oxidation and oxygen diffusion; (iii) The formation of core-shell nano-particles; (iv) Surface reactivity and the effect of the magnetic properties on catalytic pathways and mechanisms.