4.7 Article

Water Formation Reaction under Interfacial Confinement: Al0.25Si0.75O2 on O-Ru(0001)

期刊

NANOMATERIALS
卷 12, 期 2, 页码 -

出版社

MDPI
DOI: 10.3390/nano12020183

关键词

water formation reaction; ambient pressure X-ray photoelectron spectroscopy; density functional theory; aluminosilicate bilayer film; reaction pathway; interfacial confinement; nanoreactor

资金

  1. Scientific Data and Computing Center, a component of the Computational Science Initiative, at Brookhaven National Laboratory [DE-SC0012704]
  2. Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]
  3. Spanish Ministry of Science, Innovation and Universities [BES-2015-075748, SEV-2016-0683]
  4. ACS PRF grant [61059-ND5]

向作者/读者索取更多资源

Confined nanosized spaces at the interface between a metal and a seemingly inert material can influence the chemistry at the metal surface. This study investigated the effect of doping a silicate with aluminum on the reaction pathway and kinetics of water formation reaction. It was found that introducing aluminum in the bilayer silica increased the residence time of water at the surface, favoring a specific reaction pathway but with a higher energy barrier.
Confined nanosized spaces at the interface between a metal and a seemingly inert material, such as a silicate, have recently been shown to influence the chemistry at the metal surface. In prior work, we observed that a bilayer (BL) silica on Ru(0001) can change the reaction pathway of the water formation reaction (WFR) near room temperature when compared to the bare metal. In this work, we looked at the effect of doping the silicate with Al, resulting in a stoichiometry of Al0.25Si0.75O2. We investigated the kinetics of WFR at elevated H-2 pressures and various temperatures under interfacial confinement using ambient pressure X-ray photoelectron spectroscopy. The apparent activation energy was lower than that on bare Ru(0001) but higher than that on the BL-silica/Ru(0001). The apparent reaction order with respect to H-2 was also determined. The increased residence time of water at the surface, resulting from the presence of the BL-aluminosilicate (and its subsequent electrostatic stabilization), favors the so-called disproportionation reaction pathway (*H2O + *O <-> 2 *OH), but with a higher energy barrier than for pure BL-silica.

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