Sum-frequency vibrational spectroscopy of water at interfaces

Ren-Hui Zheng1, Yinjia Chen1, Zhiyan Liu1

  • 1Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences, Zhongguancun, Beijing 100190, China. zrh@iccas.ac.cn.

Summary

This study advances interfacial water analysis using neural networks and quantum chemistry for sum-frequency vibrational spectroscopy (SFVS). New methods accurately compute SFVS, distinguishing electric dipole and quadrupole contributions.

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