Experimental and theoretical studies of hydrogen/deuterium spillover on Pt-loaded zeolite-templated carbon

Hirotomo Nishihara, Somlak Ittisanronnachai, Hiroyuki Itoi, Li Xiang Li, Kimichi Suzuki, Umpei Nagashima, Hiroshi Ogawa, Takashi Kyotani, Masashi Ito

Research output: Contribution to journalArticle

17 Citations (Scopus)

Abstract

Hydrogen storage in metal-doped carbons through a spillover mechanism has attracted a great attention. However, the data reported so far are lacking in consistency among different research groups, and the mechanism has not been fully revealed yet. In this work, we prepare a model Pt-loaded carbon by a simple and reproducible method in which already-synthesized Pt-nanocolloid is directly doped on zeolite-templated carbon. The Pt-loaded carbon thus obtained provides reliable data as for the temperature effects (273-353 K) on hydrogen/deuterium (H/D) adsorption isotherms, which contain the contributions of H2/D2 physisorption, H/D chemisorption on Pt surface, and H/D storage by the spillover mechanism. We extracted the last contribution (spillover H/D) from the isotherms, and found that the amount of the spillover H/D increases with increasing pressure (up to 100 kPa) and temperature (273-353 K). Detailed analysis of the number of H/D atoms stored by the spillover mechanism reveals that H/D radicals spilling from the Pt surface migrate on the carbon surface. The path integral molecular dynamics simulation also demonstrates the migration of atomic H/D on a model fragment of the zeolite-templated carbon, and suggests the enhancement of migration at higher temperature.

Original languageEnglish
Pages (from-to)9551-9559
Number of pages9
JournalJournal of Physical Chemistry C
Volume118
Issue number18
DOIs
Publication statusPublished - 2014 May 8

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films

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