All Stories

  1. Revealing highly unbalanced energy barriers in the extension and contraction of the muscle-like motion of a [c2]daisy chain

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

    Dr Yan-Ling Zhao

  2. Synthesis and characterization of gadolinium-doped nanotubular titania for enhanced photocatalysis

    Article • Journal of Alloys and Compounds, December 2014, Elsevier

    Dr Yan-Ling Zhao

  3. Selective adsorption of l-serine functional groups on the anatase TiO2(101) surface in benthic microbial fuel cells

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

    Dr Yan-Ling Zhao

  4. A SELF-CONSISTENT-CHARGE DENSITY-FUNCTIONAL TIGHT-BINDING THEORY BASED MOLECULAR DYNAMICS SIMULATION OF A ZWITTERIONIC GLYCINE IN AN EXPLICIT WATER ENVIRONMENT

    Article • Journal of Theoretical and Computational Chemistry, June 2013, World Scientific Pub Co Pte Lt

    Dr Yan-Ling Zhao

  5. EFFECTS AND ROLE OF WATER ENVIRONMENT ON A GEMINAL HYDROXYLATED SILICA SURFACE — SELF-CONSISTENT CHARGE DENSITY FUNCTIONAL TIGHT BINDING THEORY BASED MOLECULAR DYNAMICS SIMULATION

    Article • Journal of Theoretical and Computational Chemistry, February 2012, World Scientific Pub Co Pte Lt

    Dr Yan-Ling Zhao

  6. An SCC-DFTB/MD Study of the Adsorption of Zwitterionic Glycine on a Geminal Hydroxylated Silica Surface in an Explicit Water Environment

    Article • The Journal of Physical Chemistry C, April 2011, American Chemical Society (ACS)

    Dr Yan-Ling Zhao

  7. Facet dependent reactivity and selective deposition of nanometer sized β-SiC on diamond surfaces

    Article • Applied Physics Letters, June 2008, American Institute of Physics

    Dr Yan-Ling Zhao

  8. Structures and Properties of Stable Al4, Al4+, and Al4- Comparatively Studied by ab Initio Theories

    Article • The Journal of Physical Chemistry A, July 2007, American Chemical Society (ACS)

    Dr Yan-Ling Zhao

  9. Possible Gas-Phase Reactions of H2/CH4/Tetramethylsilane in Diamond/β-SiC Nanocomposite Film Deposition:  An Ab-Initio Study

    Article • The Journal of Physical Chemistry A, April 2007, American Chemical Society (ACS)

    Dr Yan-Ling Zhao

  10. Structures and energetics of hydrogen-terminated silicon nanowire surfaces

    Article • The Journal of Chemical Physics, October 2005, American Institute of Physics

    Dr Yan-Ling Zhao

  11. Interactions of Li, Ca, and Al with aromatic carbon materials: An ab initio study

    Article • The Journal of Chemical Physics, May 2005, American Institute of Physics

    Dr Yan-Ling Zhao

  12. The role of lithium in hydrogen storage in aromatic carbon materials

    Article • Chemical Physics Letters, November 2004, Elsevier

    Dr Yan-Ling Zhao

  13. Fluorination-induced back-bond weakening and hydrogen passivation on HF-etched Si surfaces

    Article • Physical Review B, March 2004, American Physical Society (APS)

    Dr Yan-Ling Zhao

  14. On the Stability of Hydride Configurations on Silicon Cluster Surfaces:  A First-Principle Theoretical Study

    Article • The Journal of Physical Chemistry B, January 2004, American Chemical Society (ACS)

    Dr Yan-Ling Zhao

  15. Preparation, Characterization and Electrochemical Property of ZnCl2-doped Carbon Nanometer Material as the Anode of Lithium-ion Battery

    Article • MRS Proceedings, January 2004, Springer Science + Business Media

    Dr Yan-Ling Zhao

  16. Theoretical study on C60-doped polyacenic semiconductor(PAS) interacting with lithium

    Article • Synthetic Metals, April 2003, Elsevier

    Dr Yan-Ling Zhao

  17. Theoretical study on C60-doped polyacenic semiconductor (PAS) through phosphorylation

    Article • Synthetic Metals, April 2003, Elsevier

    Dr Yan-Ling Zhao