Investigation on specific adsorption of hydrogen on lithium-doped mesoporous silica

Masaru Kubo, Hiroshi Ushiyama, Atsushi Shimojima, Tatsuya Okubo*

*この研究の対応する著者

研究成果: Article査読

7 被引用数 (Scopus)

抄録

This paper reports the synthesis, structure, and hydrogen adsorption property of Li-doped mesoporous silica (MPS) with a 2D hexagonal structure. The Li-doping is achieved by impregnation of the cylindrical mesopores with an ethanol solution of lithium chloride followed by heat treatment. Detailed characterization by solid-state NMR, TG-MS, and FT-IR suggests that, during the heat treatment, lithium chloride reacts with surface ethoxy groups Si-OEt) to form =SiOLi groups, while ethyl chloride is released into the gas phase. The hydrogen uptake at 77 K and 1 atm increases from 0.68 wt% for the undoped MPS to 0.81 wt% for Li-doped MPS (Li-MPS). The isosteric heat of adsorption is 4.8 kJ∈mol-1, which is consistent with the quantum chemistry calculation result (5.12 kJ∈mol-1). The specific hydrogen adsorption on Li-MPS would be explained by the frontier orbital interaction between HOMO of hydrogen molecules and LUMO of = These findings provide an important insight into the development of hydrogen storage materials with specific adsorption sites.

本文言語English
ページ(範囲)211-218
ページ数8
ジャーナルAdsorption
17
1
DOI
出版ステータスPublished - 2011 2月
外部発表はい

ASJC Scopus subject areas

  • 化学 (全般)
  • 化学工学(全般)
  • 表面および界面

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