原子促进O2在Au表面的化学吸收
Jindong Ren1, Yanan Wang2,3, Jin Zhao1,2,3
1Department of Physics and Astronomy and Pittsburgh Quantum Institute , University of Pittsburgh , Pittsburgh , Pennsylvania 15260 , United States.
Journal of the American Chemical Society
|February 20, 2019
概括
(K) 离子促进氧 (O2) 在黄金 (Au) 表面的化学吸收,形成新的K2O2复合物. 这种促进是理解催化和电池放电物种的关键.
科学领域:
- 表面科学和催化
- 材料化学
- 电化学
背景情况:
- 原子显著影响表面的催化反应,作为促进剂或毒素.
- 了解氧相互作用对于氧电池中排放物种的特征至关重要.
研究的目的:
- 为了研究 (K) 和氧 (O2) 在黄金 (Au) 表面的原子级共吸收.
- 阐明在表面催化和电池化学中的作用.
主要方法:
- 使用扫描道显微镜 (STM) 的原子尺度表征.
- 通过密度函数理论 (DFT) 计算进行理论分析.
- 使用道化dI/dV光谱进行光谱分析.
主要成果:
- 离子 (K+) 在Au{11}上诱导O2的化学吸收,形成不同的K2O2结构,取决于覆盖范围.
- 在低K覆盖率下,K2O2复合物的有序量子格子形成;在高覆盖率下,这些凝结成岛屿和薄膜.
- DFT揭示了三中心,-π相互作用和电荷转移从K到Au{111}和O2,形成O2在过氧和超氧之间的氧化还原状态.
结论:
- 通过独特的结合相互作用和电荷转移机制有效地促进O2吸附.
- 观察到的K2O2结构及其转变为氧电池放电过程提供了洞察力.
- 康多效应的缺失表明这些复合物中氧气的磁矩被灭.
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