Chemical Reactivity

  1. Atomic scale chemo-mechanics of silica: nano-rod deformation and water reaction,
    Emilio C. C. M. Silva, Ju Li, Dongyi Liao, Sundar Subramanian, Ting Zhu and Sidney Yip, Journal of Computer-Aided Materials Design 13 (2006) 135-159.

  2. Theoretical assessment of the elastic constants and hydrogen storage capacity of some metal-organic framework materials,
    Amit Samanta, Terumi Furuta and Ju Li, J. Chem. Phys. 125 (2006) 084714.

  3. Coverage dependence and hydroperoxyl-mediated pathway of catalytic water formation on Pt (111) surface,
    Liang Qi, Jianguo Yu and Ju Li, J. Chem. Phys. 125 (2006) 054701.

  4. A Perspective on Modeling Materials in Extreme Environments: Oxidation of Ultrahigh-Temperature Ceramics,
    Angelo Bongiorno, Clemens J. Först, Rajiv K. Kalia, Ju Li, Jochen Marschall, Aiichiro Nakano, Mark M. Opeka, Inna G.Talmy, Priya Vashishta, and Sidney Yip, MRS Bulletin 31 (2006) 410-418.

  5. Stress-dependent molecular pathways of silica-water reaction,
    Ting Zhu, Ju Li, Xi Lin and Sidney Yip, Journal of the Mechanics and Physics of Solids 53 (2005) 1597-1623.

  6. Computer modeling study of the effect of hydration on the stability of a silica nanotube,
    Nora H. de Leeuw, Zhimei Du, Ju Li, Sidney Yip and Ting Zhu, Nano Letters 3 (2003) 1347-52.

  7. Deformation and fracture of a SiO2 nanorod,
    Ting Zhu, Ju Li, Sidney Yip, Rodney J. Bartlett, S.B. Trickey and Nora H. de Leeuw, Molecular Simulation 29 (2003) 671-6.

  8. Theoretical evaluation of hydrogen storage capacity in pure carbon nanostructures,
    Ju Li, Terumi Furuta, Hajime Goto, Toshiyuki Ohashi, Yoshiya Fujiwara and Sidney Yip, Journal of Chemical Physics 119 (2003) 2376-85.

    Comment by Hansong Cheng, Alan C. Cooper and Guido P. Pez,
    Journal of Chemical Physics 120 (2004) 9427-9.

    Response to Comment on Theoretical evaluation of hydrogen storage capacity in pure carbon nanostructures,
    J. Li and S. Yip, Journal of Chemical Physics 120 (2004) 9430-2.