Abstract
I describe the structure and diffusion of a single water molecule isolated on a Cu(110) surface in this chapter. The monomeric adsorption of water molecules can be realized at low temperature (<20 K). The adsorption structure is determined with the help of DFT calculations. A water molecule chemisorbs on a top of Cu atoms and thermally diffuses on the surface along the atomic row of Cu(110) even at 6 K. Using the time-resolved measurement of the STM, the diffusion rate is determined to be 0.13 s−1 that corresponds to the barrier of ~15 meV. The diffusion is also induced by the vibrational excitation of water molecule via the inelastic electron tunneling process. I also show the controlled manipulation of individual water molecules. A water molecule can be moved along the atomic row direction by the lateral manipulation of STM.
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Notes
- 1.
DFT calculations were performed using the STATE code [Y. Morikawa et al. Phys. Rev. B 69, 041403 (2004).]. In the calculation the water molecules is put on one side of five-layer Cu slabs and 2 × 3 surface unit cell with 16 k point sampling.
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Kumagai, T. (2012). Water Monomer: Structure and Diffusion of a Single Water Molecule. In: Visualization of Hydrogen-Bond Dynamics. Springer Theses, vol 125. Springer, Tokyo. https://doi.org/10.1007/978-4-431-54156-1_4
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