XAS and XES studies of carbonate and bicarbonate ions in aqueous solutions

Naohiro Nishida,Yuka Horikawa,Takashi Tokushima,Osamu Takahashi

Journal of Electron Spectroscopy and Related Phenomena（2017）

引用 3|浏览9

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摘要

•We reproduced an XES spectrum of carbonate and bicarbonate ions in aqueous solutions.•An ab initio MD simulation reproduced the solute-solvent model.•Theoretical data provided electronic and molecular structure information.

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关键词

Soft X-ray absorption spectroscopy,Soft X-ray emission spectroscopy,Carbonate ion,pH,DFT

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