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铜(110)表面水覆盖层的原子结构与键合:完整吸附和解离吸附的边界

Atomic structure and bonding of water overlayer on Cu(110): the borderline for intact and dissociative adsorption.

作者信息

Ren Jun, Meng Sheng

机构信息

Department of Physics, Sichuan Normal University, Chengdu 610068, China.

出版信息

J Am Chem Soc. 2006 Jul 26;128(29):9282-3. doi: 10.1021/ja061947p.

Abstract

By carefully comparing the calculated and measured work function data, energetics, and vibrational spectroscopy, we determine explicitly the water structure in c(2 x 2) periodicity on Cu(110) to be an intact water overlayer with a majority component of H-down bilayer (95%) in low temperature experiments. Water dissociation is accessible by heating or ultraviolet illumination, resulting in a sensitive change in electron density at the surface and could therefore be monitored by work function measurement.

摘要

通过仔细比较计算和测量得到的功函数数据、能量学和振动光谱,我们明确确定在低温实验中,Cu(110)上具有c(2×2)周期性的水结构是一个完整的水覆盖层,其中H向下双层的主要成分占95%。通过加热或紫外线照射可使水发生解离,导致表面电子密度发生敏感变化,因此可以通过功函数测量来监测。

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