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Atomic-scale study of formation of sodium–water complexes on Cu(110)

Abstract

We observed individual sodium (Na) atoms and their complexes with water molecules on Cu(110) with scanning tunneling microscopy at 6 K. We induced the reaction of a Na adatom with one or two water molecules, yielding two kinds of Na–water complexes. Density functional theory calculations were performed to study the structure of the complexes, revealing that water molecules are bonded to a Na atom along the [1-10] direction via oxygen atom with hydrogen atoms pointing toward the Cu atoms of the surface. The 1:1 Na–water complex is stablized by 225 meV upon the bond formation, and the ligand water moves back and forth around the Na atom. The complex can accommodate another water molecule to yield an 1:2 Na–water complex with the energy gain of 214 meV. The atomic-scale identification of the alkali-water complexes would give fundamental insights into the hydration process of alkali cations and the specific adsorption of them onto metal electrodes.

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Publication details

The article was received on 24 Feb 2018, accepted on 03 Apr 2018 and first published on 04 Apr 2018


Article type: Paper
DOI: 10.1039/C8CP01237G
Citation: Phys. Chem. Chem. Phys., 2018, Accepted Manuscript
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    Atomic-scale study of formation of sodium–water complexes on Cu(110)

    A. Shiotari, H. Okuyama, S. Hatta, T. Aruga and I. Hamada, Phys. Chem. Chem. Phys., 2018, Accepted Manuscript , DOI: 10.1039/C8CP01237G

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