Rotational and Vibrational Excitations of a Single Water Molecule by Inelastic Electron Tunneling Spectroscopy

Autor: Jiyu Xu, Dong Hao, Jianmei Li, Qiuhao Xu, Xinyan Shan, Xinghua Lu, Xiangqian Tang, Sheng Meng, Lihuan Sun
Rok vydání: 2020
Předmět:
Zdroj: The journal of physical chemistry letters. 11(5)
ISSN: 1948-7185
Popis: Two low-energy excitations of a single water molecule are observed via inelastic electron tunneling spectroscopy, where a significant enhancement is achieved by attaching the molecule to the tip apex in a scanning tunneling microscope. Density functional theory simulations and quantum mechanical calculations of an asymmetric top are carried out to reveal the origin of both excitations. Variations in tunneling junction separation give rise to the quantum confinement effect on the quantum state of a water molecule in the tunneling junction. Our results demonstrate a potential method for measuring the dynamic behavior of a single molecule confined in a tunneling junction, where the molecule–substrate interaction can be purposely tuned.
Databáze: OpenAIRE