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    Article

    Computer Simulation Study of Adsorption, Isosteric Heat and Phase Transitions of Methane on Graphite

    We report Canonical (NVTMC), Grand Canonical (GCMC) and Gibbs Ensemble Monte Carlo (GEMC) simulations for adsorption of methane on graphite. Lennard-Jones (LJ) potentials are used for the intermolecular intera...

    Shaoyi Jiang, Keith E. Gubbins in MRS Online Proceedings Library (1992)

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    Article

    Nanoparticle Delivery: Targeting and Nonspecific Binding

    Targeted cancer therapies focus on molecular and cellular changes that are specific to cancer and hold the promise of harming fewer normal cells, reducing side effects, and improving the quality of life. One m...

    Rihe Liu, Brian K. Kay, Shaoyi Jiang, Shengfu Chen in MRS Bulletin (2009)

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    Article

    Pressure-Induced Phase Transitions and Bandgap-Tuning Effect of Methylammonium Lead Iodide Perovskite

    Pressure-induced crystallographic transitions and optical behavior of MAPbI3 (MA=methylammonium) were investigated using in-situ synchrotron X-ray diffraction and laser-excited photoluminescence spectroscopy. We ...

    Shaojie Jiang, Yanan Fang, Ruipeng Li, Timothy J. White, Zhongwu Wang in MRS Advances (2018)