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Initial Atmospheric Corrosion of Zinc Exposed to Formic Acid, Investigated by in Situ Vibrational Sum Frequency Spectroscopy and Density Functional Theory Calculations†

Hedberg, Jonas and Henriquez, Jaime and Baldelli, Steven and Johnson, C. Magnus and Leygraf, Christofer (2009) Initial Atmospheric Corrosion of Zinc Exposed to Formic Acid, Investigated by in Situ Vibrational Sum Frequency Spectroscopy and Density Functional Theory Calculations†. The Journal of Physical Chemistry C, 113 (6). p. 2088. ISSN 1932-7447

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Official URL: http://dx.doi.org/10.1021/jp805582h

Abstract

Vibrational sum frequency spectroscopy (VSFS) and ab initio density functional theory (DFT) calculations of formic acid on ZnO/Zn have been performed in order to understand the first step of atmospheric corrosion on zinc initiated by formic acid. In addition, infrared reflection absorption spectroscopy (IRAS) has been employed to complement the surface sensitive VSFS results to identify the corrosion products. Oxidized polycrystalline zinc samples were exposed to 120 ppb formic acid in either humid or dry air where, the formic acid adsorption on ZnO/Zn is observed to have a low dependence on the humidity, as deduced by VSFS. Formate is formed on the surface in both dry and humid air and stabilized in configuration after about 90 min exposure in 120 ppb formic acid as seen in the VSFS results. This is evidenced by the occurrence of the CH and symmetric COO− vibrations of the formate ion. The DFT calculations support the VSFS results, showing a coordination of the formate to zinc ions without participation from water molecules.

Item Type:Article
Subjects:Material Science > Nanochemistry
ID Code:7784
Deposited By:M T V
Deposited On:23 Nov 2009 13:27
Last Modified:23 Nov 2009 13:27

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