Surface structures of NaF and Na 2SO 4 aqueous solutions: Specific effects of hard ions on surface vibrational spectra

Takako Imamura, Yuri Mizukoshi, Tatsuya Ishiyama, Akihiro Morita

研究成果: Article査読

17 被引用数 (Scopus)

抄録

We elucidated surface structure and sum frequency generation (SFG) spectra of aqueous NaF and Na 2SO 4 solutions by molecular dynamics (MD) simulation. These electrolyte solutions contain hard ions, and their surfaces are considered to be void of ion species. Nevertheless, the two solutions have shown remarkably different SFG spectra, implying different surface structure. The present MD analysis confirmed that all the ionic species are repelled from the surface, though their experimental SFG spectra are well reproduced. The difference in their surface structure is observed in the subsurface region, where slight charge separation occurs in the Na 2SO 4 solution. The perturbation in the SFG spectra is not attributed to the topmost layer but to the water orientation in a fairly deep region of the surface.

本文言語English
ページ(範囲)11082-11090
ページ数9
ジャーナルJournal of Physical Chemistry C
116
20
DOI
出版ステータスPublished - 2012 5 24

ASJC Scopus subject areas

  • 電子材料、光学材料、および磁性材料
  • エネルギー(全般)
  • 物理化学および理論化学
  • 表面、皮膜および薄膜

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