Two-Dimensional Iron Oxide on Au(111): Growth Mechanism and Interfacial Properties,The Journal of Physical Chemistry C

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Two-Dimensional Iron Oxide on Au(111): Growth Mechanism and Interfacial Properties
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2021-10-27 , DOI: 10.1021/acs.jpcc.1c08238
Yixuan Jiang ₁ , Saiyu Bu ₂ , Dechun Zhou ₁ , Xiaoguang Shi ₁ , Feng Pan ₃ , Qingmin Ji ₁ , Tianchao Niu ₁

Affiliation

The strong oxide–metal interaction makes inverse oxide–metal configurations more active than conventional bulk systems. An atomic-scale understanding of the growth mechanism and structural properties of these metal oxides on noble metal substrates is essential for the design and improvement of inverse catalysts. Here, using two-dimensional iron oxide (FeO) thin films on the Au(111) surface as a model system, we investigated the growth mechanism of the first and second layer FeO on Au(111) by high-resolution scanning tunneling microscopy. Fe atoms embed in the subsurface of Au(111) at low coverage and squeeze out the surrounding Au atoms. Assisted by oxidation to generate FeO, the islands move to the surface and finally cover the Au(111) surface to form a Moiré superstructure. Density functional theory calculations reveal the formation of the strong interfacial Fe–Au bonds and remarkable charge transfer. The second layer of FeO exhibits a modulated ellipsoidal Moiré pattern because of the strong Fe–Fe bonds along with the variation of interlayer distance at different sites. This study on the growth mechanism and surface structures of mono- and bilayer FeO on Au(111) promotes future research on the metal oxide–substrate interactions in the field of catalysis.

中文翻译：

Au(111) 上的二维氧化铁：生长机制和界面性质

强氧化物-金属相互作用使反相氧化物-金属构型比传统的体系统更活跃。对这些金属氧化物在贵金属基材上的生长机制和结构特性的原子级理解对于逆向催化剂的设计和改进至关重要。在这里，我们使用 Au(111) 表面上的二维氧化铁 (FeO) 薄膜作为模型系统，通过高分辨率扫描隧道显微镜研究了 Au(111) 上第一层和第二层 FeO 的生长机制。Fe原子以低覆盖率嵌入Au（111）的亚表面并挤出周围的Au原子。在氧化生成 FeO 的辅助下，这些岛移动到表面并最终覆盖 Au(111) 表面以形成莫尔超结构。密度泛函理论计算揭示了强界面 Fe-Au 键的形成和显着的电荷转移。由于强的 Fe-Fe 键以及不同位置的层间距离的变化，第二层 Fe2O 表现出调制的椭球莫尔图案。这项对 Au(111) 上单层和双层 Fe3O 的生长机制和表面结构的研究促进了催化领域金属氧化物-基材相互作用的未来研究。

更新日期：2021-11-11

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