All Stories

  1. High coverage adsorption and co-adsorption of CO and H2 on Ru(0001) from DFT and thermodynamics

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Dr Haijun Jiao

  2. Determining surface structure and stability of ε-Fe2C, χ-Fe5C2, θ-Fe3C and Fe4C phases under carburization environment from combined DFT and atomistic thermodynamic studies

    Article • Catalysis Structure & Reactivity, December 2014, Taylor & Francis

    Dr Haijun Jiao

  3. Structures and energies of Cu clusters on Fe and Fe3C surfaces from density functional theory computation

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Dr Haijun Jiao