Confinement-Induced Catalytic Dissociation of Hydrogen Molecules in a Scanning Tunneling Microscope
Confinement-Induced Catalytic Dissociation of Hydrogen Molecules in a Scanning Tunneling Microscope
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扫描隧道显微镜中氢分子的约束诱导催化解离
DOI：
10.1021/jacs.2c00005
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发表时间：
2022
影响因子：
15
通讯作者：
Ho, W.
中科院分区：
文献类型：
--
作者：
Li, Shaowei;Czap, Gregory;Li, Jie;Zhang, Yanxing;Yu, Arthur;Yuan, Dingwang;Kimura, Hikari;Wu, Ruqian;Ho, W.
在扫描隧道显微镜（STM）结中，由于纳米尺度的限制，导致了单个化学键的催化断裂。夹在STM针尖和铜衬底之间的单个氢分子可以仅通过针尖的往复运动而解离。反应速率敏感地取决于局部分子环境，例如附近的一氧化碳分子或金吸附原子的影响。详细的机制和过渡态的性质揭示了密度泛函理论（DFT）计算。这项工作提供了深入了解在原子尺度上的化学反应所引起的局部限制所施加的STM针尖。此外，单个双原子分子可以充当分子催化剂以提高表面上的反应速率。
The catalytic scission of single chemical bonds has been induced by the nanoscale confinement in a scanning tunneling microscope (STM) junction. Individual hydrogen molecules sandwiched between the STM tip and a copper substrate can be dissociated solely by the reciprocating movement of the tip. The reaction rate depends sensitively on the local molecular environment, as exemplified by the effects of a nearby carbon monoxide molecule or a gold adatom. Detailed mechanisms and the nature of the transition states are revealed by density functional theory (DFT) calculations. This work provides insights into chemical reactions at the atomic scale induced by localized confinement applied by the STM tip. Furthermore, a single diatomic molecule can act as a molecular catalyst to enhance the reaction rate on a surface.