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吸附态冰纳米团簇中氢键动力学的操控与控制

Manipulation and control of hydrogen bond dynamics in absorbed ice nanoclusters.

作者信息

Gawronski Heiko, Carrasco Javier, Michaelides Angelos, Morgenstern Karina

机构信息

Institut für Festkörperphysik, Leibniz Universität Hannover, Appelstrasse 2, D-30167 Hannover, Germany.

出版信息

Phys Rev Lett. 2008 Sep 26;101(13):136102. doi: 10.1103/PhysRevLett.101.136102. Epub 2008 Sep 24.

Abstract

Inelastic electron tunneling is used to explore the dynamics of ice nanoclusters adsorbed on Ag(111). The diffusion of entire nanoclusters or internal hydrogen bond rearrangement can be selectively controlled by injecting electrons either directly into the clusters themselves or indirectly ("indirect inelastic electron tunneling") into the substrate at distances of up to 20 nm from them; a reaction probability that oscillates with the tip-cluster lateral distance presents evidence that surface state electrons mediate the excitation. Density functional theory calculations reveal a strong sensitivity of the computed activation energies of the individual processes to the applied electrical field.

摘要

非弹性电子隧穿被用于探索吸附在Ag(111)上的冰纳米团簇的动力学。通过将电子直接注入团簇本身或间接(“间接非弹性电子隧穿”)注入到距团簇最远达20 nm的基底中,可以选择性地控制整个纳米团簇的扩散或内部氢键重排;反应概率随针尖 - 团簇横向距离振荡,这表明表面态电子介导了激发过程。密度泛函理论计算表明,计算得到的各个过程的活化能对施加的电场具有很强的敏感性。

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