All Stories

  1. On the use of DFT+U to describe the electronic structure of TiO2 nanoparticles: (TiO2)35 as a case study

    Article • The Journal of Chemical Physics, June 2020, American Institute of Physics

    michael nolan, Francesc Illas

  2. The role of Ru passivation and doping on the barrier and seed layer properties of Ru-modified TaN for copper interconnects

    Article • The Journal of Chemical Physics, April 2020, American Institute of Physics

    michael nolan

  3. First principles investigation of anion-controlled red shift in light absorption in ZnX (X = O, S, Se) nanocluster modified rutile TiO2

    Article • Journal of Materials Chemistry A, September 2014, Royal Society of Chemistry

    michael nolan

  4. Charge transfer and formation of reduced Ce3+ upon adsorption of metal atoms at the ceria (110) surface

    Article • The Journal of Chemical Physics, April 2012, American Institute of Physics

    michael nolan

  5. On the interaction of Mg with the (111) and (110) surfaces of ceria

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    michael nolan

  6. Unravelling the specific site preference in doping of calcium hydroxyapatite with strontium from ab initio investigations and Rietveld analyses

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    michael nolan

  7. Tin oxide-surface modified anatase titanium(iv) dioxide with enhanced UV-light photocatalytic activity

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    michael nolan

  8. Surface orientation effects in crystalline–amorphous silicon interfaces

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    michael nolan

  9. Hybrid density functional theory description of N- and C-doping of NiO

    Article • The Journal of Chemical Physics, June 2011, American Institute of Physics

    michael nolan

  10. Surface modification of TiO2 with metal oxide nanoclusters: a route to composite photocatalytic materials

    Article • Chemical Communications, January 2011, Royal Society of Chemistry

    michael nolan

  11. Electronic coupling in iron oxide-modified TiO2 leads to a reduced band gap and charge separation for visible light active photocatalysis

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    michael nolan

  12. Reactivity of sub 1 nm supported clusters: (TiO2)n clusters supported on rutile TiO2 (110)

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    michael nolan

  13. The atomic level structure of the TiO2–NiTi interface

    Article • Physical Chemistry Chemical Physics, January 2010, Royal Society of Chemistry

    michael nolan

  14. Surface and interstitial Ti diffusion at the rutile TiO2(110) surface

    Article • Physical Chemistry Chemical Physics, January 2010, Royal Society of Chemistry

    michael nolan