Soft X-ray Emission Studies on Hydrate-Melt Electrolytes

Tatau Shimada, Norio Takenaka, Eriko Watanabe, Yuki Yamada, Yi Tao Cui, Yoshihisa Harada, Masashi Okubo, Atsuo Yamada*

*この研究の対応する著者

研究成果: Article査読

1 被引用数 (Scopus)

抄録

Highly salt-concentrated aqueous solutions are a new class of electrolytes, which provide a wide potential window exceeding 3 V and, hence, realize possibly inexpensive, safe, and high-energy-density storage devices. Herein, we investigate the evolution of the coordination structure and electronic state depending on the salt concentration through soft X-ray emission spectroscopy and first-principles molecular dynamics calculations. Close to the concentration limit, categorized as a "hydrate melt,"a long-range hydrogen-bond network of water molecules disappears with emerging localized electronic states that resemble those in the gas phase. Such localized electronic states are attributed not only to their geometrically isolated nature but also to their dominant electrostatic interaction with Li+ cations. Therefore, the electrical properties of water in the hydrate melt can be more gaslike than liquidlike.

本文言語English
ページ(範囲)11534-11539
ページ数6
ジャーナルJournal of Physical Chemistry B
125
41
DOI
出版ステータスPublished - 2021 10月 21
外部発表はい

ASJC Scopus subject areas

  • 物理化学および理論化学
  • 表面、皮膜および薄膜
  • 材料化学

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