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[정재훈 교수연구실] Dissociation Mechanism of a Single O2 Molecule Chemisorbed on Ag(110), Journal of Physical Chemistry Letters, 12, 9868 (2021)
작성자 최** 작성일 2021-11-09 조회수 651

Title

Dissociation Mechanism of a Single O2 Molecule Chemisorbed on Ag(110)

Author list

Lee, Minhui; Kazuma, Emiko; Zhang, Chi; Trenary, Michael; Takeya, Jun; Jung, Jaehoon; Kim, Yousoo

Publication date

2021/10

Citation information

Journal of Physical Chemistry Letters, 12, 9868 (2021)

DOI

10.1021/acs.jpclett.1c02456

Graphical Abstract

 

 

Abstract

The dissociation of O2 molecules chemisorbed on silver surfaces is an essential reaction in industry, and the dissociation mechanism has long attracted attention. The detailed dissociation mechanism was studied at the single-molecule level on Ag(110) by using a scanning tunneling microscope (STM). The dissociation reaction was found to be predominantly triggered by inelastically tunneled holes from the STM tip due to the significantly distributed density of states below the Fermi level of the substrate. A combination of action spectroscopy with the STM and density functional theory calculations revealed that the O2 dissociation reaction is caused by direct ladder-climbing excitation of the high-order overtones of the O-O stretching mode arising from anharmonicity enhanced by molecule-surface interactions.

 
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