Chemical Reactivity

  1. Theoretical study of the ammonia nitridation rate on an Fe (100) surface: A combined density functional theory and kinetic Monte Carlo study,
    Sang Chul Yeo, Yu Chieh Lo, Ju Li and Hyuck Mo Lee, Journal Of Chemical Physics 141 (2014) 134108.

  2. Engineering Catalytic Contacts and Thermal Stability: Gold/Iron Oxide Binary Nanocrystal Superlattices for CO Oxidation,
    Yijin Kang, Xingchen Ye, Jun Chen, Liang Qi, Rosa E. Diaz, Vicky Doan-Nguyen, Guozhong Xing, Cherie R. Kagan, Ju Li, Raymond J. Gorte, Eric A. Stach and Christopher B. Murray, Journal of the American Chemical Society 135 (2013) 1499-1505.

  3. Adsorbate interactions on surface lead to a flattened Sabatier volcano plot in reduction of oxygen,
    Liang Qi and Ju Li, Journal of Catalysis 295 (2012) 59-69.

  4. Icosahedral Platinum Alloy Nanocrystals with Enhanced Electrocatalytic Activities,
    Jianbo Wu, Liang Qi, Hongjun You, Adam Gross, Ju Li and Hong Yang, Journal of the American Chemical Society 134 (2012) 11880-11883.

  5. Highly Active Pt3Pb and Core-Shell Pt3Pb-Pt Electrocatalysts for Formic Acid Oxidation,
    Yijin Kang, Liang Qi, Meng Li, Rosa E. Diaz, Dong Su, Radoslav R. Adzic, Eric Stach, Ju Li and Christopher B. Murray, ACS Nano 6 (2012) 2818-2825.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.