Classification of adsorbates in scanning tunneling microscopy images of Fe3O4(111) surfaces exposed to water and carbon monoxide

IF 2.1 4区 化学 Q3 CHEMISTRY, PHYSICAL Surface Science Pub Date : 2024-08-23 DOI:10.1016/j.susc.2024.122582
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Abstract

Understanding the structure of catalyst surfaces with adsorbed molecules is key to improving catalyst design. Scanning tunneling microscopy (STM) allows the observation of adsorption states and sites and provides insights into diffusion and desorption processes; however, the presence of multiple types of molecules on the surface presents challenges such as the identification of species and verification of reaction progress, particularly at room temperature or higher. In this study, we develop a protocol for the height classification analysis of STM images using the Watershed algorithm. This method is applied to a system involving the co-adsorption of H2O and CO on the Fe3O4(111) surface, which represents the beginning of the water-gas shift reaction. Water molecules and dissociated OH species were identified in STM images of the Fe3O4(111) surface following the adsorption of water. Furthermore, gradual changes in the types of surface species were observed upon exposure of the surface to CO, indicating reaction progression. Our observations suggest that CO may react with molecular water rather than with dissociated OH on Fe sites. Despite its simplicity, the height classification analysis effectively identifies changes in the adsorbates on the catalyst surface. This method can be extended to other catalyst surfaces with adsorbed gasses.

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暴露于水和一氧化碳的 Fe3O4(111) 表面扫描隧道显微镜图像中的吸附剂分类
了解带有吸附分子的催化剂表面结构是改进催化剂设计的关键。扫描隧道显微镜(STM)可以观察吸附状态和吸附位点,并深入了解扩散和解吸过程;然而,表面存在多种类型的分子会带来一些挑战,如物种识别和反应进展验证,尤其是在室温或更高温度下。在本研究中,我们利用分水岭算法制定了 STM 图像高度分类分析协议。该方法适用于涉及 Fe3O4(111)表面上 H2O 和 CO 共吸附的系统,该系统代表了水-气转移反应的开始。水被吸附后,Fe3O4(111) 表面的 STM 图像中出现了水分子和离解的 OH 物种。此外,在将表面暴露于 CO 时,还观察到表面物种类型的逐渐变化,这表明反应正在进行。我们的观察结果表明,CO 可能与分子水而不是与铁位点上离解的 OH 发生反应。尽管高度分类分析很简单,但它能有效识别催化剂表面吸附剂的变化。这种方法可以推广到其他有吸附气体的催化剂表面。
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来源期刊
Surface Science
Surface Science 化学-物理:凝聚态物理
CiteScore
3.30
自引率
5.30%
发文量
137
审稿时长
25 days
期刊介绍: Surface Science is devoted to elucidating the fundamental aspects of chemistry and physics occurring at a wide range of surfaces and interfaces and to disseminating this knowledge fast. The journal welcomes a broad spectrum of topics, including but not limited to: • model systems (e.g. in Ultra High Vacuum) under well-controlled reactive conditions • nanoscale science and engineering, including manipulation of matter at the atomic/molecular scale and assembly phenomena • reactivity of surfaces as related to various applied areas including heterogeneous catalysis, chemistry at electrified interfaces, and semiconductors functionalization • phenomena at interfaces relevant to energy storage and conversion, and fuels production and utilization • surface reactivity for environmental protection and pollution remediation • interactions at surfaces of soft matter, including polymers and biomaterials. Both experimental and theoretical work, including modeling, is within the scope of the journal. Work published in Surface Science reaches a wide readership, from chemistry and physics to biology and materials science and engineering, providing an excellent forum for cross-fertilization of ideas and broad dissemination of scientific discoveries.
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