X-ray absorption and density functional theory study of hydrogen chemisorption on an Al surface: The influence of local surface structure

Santanu Chaudhuri, Jason Graetz, Alexander Y. Ignatov, James T. Reilly, James T. Muckerman

Research output: Contribution to journalConference article

Abstract

The hydrogen chemisorption process in metal hydrides and binary alloy systems of current interest for reversible hydrogen storage are dependent on the effective use of appropriate catalysts. To meet the current performance challenges, an understanding of the role of transition metal catalysts in the surface chemical reactions is crucial. To illustrate this point, experimental and theoretical results obtained from a study of hydrogen storage reactions in the sodium alanate system were presented. Reversible hydrogen storage in this material depended on the chemisorption of hydrogen that is catalytically assisted by 2-4% Ti dopant. The role of Ti could be linked entirely to the Ti-containing active sites on the surface of the metallic Al phase that is formed during the multi-step hydrogen depletion process. The Ti atoms had no long-range order beyond the second coordination sphere in the Al- phase, and it is located on or near the surface. This is an abstract of a paper presented at the 230th ACS National Meeting (Washington, DC 8/28/2005-9/1/2005)].

Original languageEnglish
JournalACS National Meeting Book of Abstracts
Volume230
Publication statusPublished - Dec 1 2005
Event230th ACS National Meeting - Washington, DC, United States
Duration: Aug 28 2005Sep 1 2005

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)

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