Revisiting Oxygen Adsorption on Ir(100)
Revisiting Oxygen Adsorption on Ir(100)
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重新审视 Ir(100) 上的氧吸附
DOI：
10.1021/acs.jpcc.2c01237
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发表时间：
2022
影响因子：
3.7
通讯作者：
Junfa Zhu
中科院分区：
文献类型：
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作者：
Xu Cao;Chunli Liu;Tianfu Zhang;Qian Xu;Dongling Zhang;Xiaotong Liu;Haijun Jiao;Xiaodong Wen;Yong Yang;Yongwang Li;J. W. Niemantsverdriet;Junfa Zhu
利用x射线光电子能谱（XPS）、低能电子衍射（LEED）和扫描隧道显微镜，结合密度泛函理论计算，研究了o2o在Ir（100）上的吸附和解离。在低覆盖率下，XPS在530.6 eV处显示单个o1s峰，与Ir(100) - (3 × 1) - O结构中的桥接O原子相关。在饱和覆盖下，出现了529.5 eV的附加峰，并伴有Ir(100) - (2 × 1) - o结构。530.6 eV处的o1s峰归属于吸附在Ir原子桥位上的氧原子，529.5 eV处的o1s峰归属于吸附在Ir原子四重空位上的氧原子。根据我们详细的实验和计算研究，可以排除氧扩散到地下区域的可能性。本研究对O/Ir（100）体系的附加氧态提供了新的发现。这也为Ir中不存在地下氧提供了证据，这意味着文献中关于地下氧的一些讨论可能具有误导性。
The adsorption and dissociation of O2on Ir(100) has been studied with X-ray photoelectron spectroscopy (XPS), low energy electron diffraction (LEED) and scanning tunneling microscopy together with density functional theory calculations. At low coverage, XPS shows a single O 1s peak at 530.6 eV, associated with bridged O atoms in an Ir(100)–(3 × 1)–O structure. At saturation coverage, an additional peak at 529.5 eV appears, accompanied by an Ir(100)–(2 × 1)–O structure. The O 1s peak at 530.6 eV is assigned to oxygen atoms adsorbed on bridge sites of Ir atoms, and the peak at 529.5 eV to oxygen atoms on fourfold hollow sites of Ir. Based on our detailed experimental and computational study, oxygen diffusion into the subsurface region can be ruled out. The present study provides new findings on an additional oxygen state of the O/Ir(100) system. It also provides evidence for the absence of subsurface oxygen in Ir, implying that some discussions on subsurface oxygen in the literature may be misleading.