严六明 - 上海大学

研究领域

一、用于燃料电池的质子交换膜中质子和中性小分子在电场下的迁移及其机制二、分子器件的理论建模和模拟开发具有特定功能的分子器件是当代纳米科技的主要研究方向。三、电子在有机分子和纳米电极之间的迁移四、电子的非弹性隧道谱理论化学，特别是质子或其它小分子物质在质子交换膜中的迁移现象及其机制的研究，电子在金属和有机分子之间的迁移现象及其机制的研究

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Yan, L., C. Shao, and X. Ji, Evaluation of the electroosmotic drag coefficient from molecular velocity distribution functions. J. Comp. Chem., 2008. Ji, X., L. Yan, S. Zhu, L. Zhang, and W. Lu, Methanol distribution and electroosmotic drag in hydrated ploy(perfluorosulfonic) acid membrane. J. Phys. Chem. B, 2008. Yan, L., X. Ji, and W. Lu, Molecular dynamics simulations of electroosmosis in perfluorosulfonic acid polymer. J. Phys. Chem. B, 2008. 112(18): p. 5602-5610. Ji, X., L. Yan, and W. Lu, New torsion potential expression for molecules without rotational symmetry. J. Chem. Phys., 2008. 128(22): p. 224101-224109. Yan, L., S. Zhu, X. Ji, and W. Lu, Proton hopping in phosphoric acid solvated NAFION membrane: a molecular simulation study. J. Phys. Chem. B, 2007. 111(23): p. 6357-6363. Yan, L. and J.M. Seminario, Electron transport in Nano-Gold-Silicon interfaces. Int. J. Quant. Chem., 2007. 107(2): p. 440-450. Yan, L., E.J. Bautista, and J.M. Seminario, Ab initio analysis of electron currents through benzene, naphthalene, and anthracene nanojunctions. Nanotechnology, 2007. 18(485701): p. 485701. Yan, L., Y. Ma, and J.M. Seminario, Encoding Information Using Molecular Vibronics. J. Nanosci. Nanotech., 2006. 6(3): p. 675-684. Yan, L., P.B. Balbuena, and J.M. Seminario, Perfluorobutane sulfonic acid hydration and Interactions with O2 Adsorbed on Pt3. J. Phys. Chem. A, 2006. 110(13): p. 4574-4581. Yan, L., Inelastic Electron Tunneling Spectroscopy and Vibrational Coupling. J. Phys. Chem. A, 2006. 110(49): p. 13249-13252.