All Stories

  1. Theoretical study of the effect of π-linkers on triarylamine-based p-type D-π-A sensitiser

    Article • Molecular Simulation, October 2019, Taylor & Francis

    Prof. Xue-Hai Ju

  2. First-Principles Study of Properties of Alpha Uranium Crystal and Seven Alpha Uranium Surfaces

    Article • Journal of Chemistry, January 2017, Hindawi Publishing Corporation

    Prof. Xue-Hai Ju

  3. Adsorption and decomposition of HMX and CL-20 on Al(111) surface by DFT investigation

    Article • Surface and Interface Analysis, September 2016, Wiley

    Prof. Xue-Hai Ju

  4. Oxygen adsorption and diffusion on an Al(111) surface and subsurface: a theoretical study

    Article • Canadian Journal of Chemistry, June 2016, Canadian Science Publishing

    Prof. Xue-Hai Ju

  5. Computational Chemistry and Molecular Simulation, Computational Materials

    Article • Surface and Interface Analysis, March 2016, Wiley

    Prof. Xue-Hai Ju

  6. Theoretical investigations of charge carrier transport in organic semiconductors of naphthalene bisimides N-substituted with alkoxyphenyl groups

    Article • Canadian Journal of Chemistry, July 2015, Canadian Science Publishing

    Prof. Xue-Hai Ju

  7. A density functional theory study of adsorption and dissociation of isopropyl nitrate on an Al(111) surface

    Article • Canadian Journal of Chemistry, March 2015, Canadian Science Publishing

    Prof. Xue-Hai Ju

  8. Theoretical study of the fluorination effect on charge transport properties in fused thiophene derivatives

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Prof. Xue-Hai Ju

  9. Density functional theory studies of methanol adsorption and decomposition mechanism on Al13 clusters

    Article • Canadian Journal of Chemistry, April 2014, Canadian Science Publishing

    Prof. Xue-Hai Ju

  10. Theoretical study on the light harvesting efficiency of zinc porphyrin sensitizers for DSSCs

    Article • RSC Advances, January 2014, Royal Society of Chemistry

    Prof. Xue-Hai Ju