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

Masaru Kubo, Hiroshi Ushiyama, Atsushi Shimojima, Tatsuya Okubo

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)211-218
Number of pages8
JournalAdsorption
Volume17
Issue number1
DOIs
Publication statusPublished - 2011 Feb
Externally publishedYes

Fingerprint

Lithium
Silicon Dioxide
Hydrogen
lithium
Silica
silicon dioxide
Lithium Chloride
Adsorption
adsorption
lithium chlorides
hydrogen
Ethyl Chloride
Heat treatment
Quantum chemistry
heat treatment
Hydrogen storage
Impregnation
quantum chemistry
Ethanol
Gases

Keywords

  • Hydrogen adsorption
  • Li doping
  • Mesoporous silica
  • Quantum chemistry calculation

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Surfaces and Interfaces
  • Chemistry(all)

Cite this

Investigation on specific adsorption of hydrogen on lithium-doped mesoporous silica. / Kubo, Masaru; Ushiyama, Hiroshi; Shimojima, Atsushi; Okubo, Tatsuya.

In: Adsorption, Vol. 17, No. 1, 02.2011, p. 211-218.

Research output: Contribution to journalArticle

Kubo, Masaru ; Ushiyama, Hiroshi ; Shimojima, Atsushi ; Okubo, Tatsuya. / Investigation on specific adsorption of hydrogen on lithium-doped mesoporous silica. In: Adsorption. 2011 ; Vol. 17, No. 1. pp. 211-218.
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