Affordable Access

Publisher Website

Titanium-functional group complexes for high-capacity hydrogen storage materials

Authors
Journal
Solid State Communications
0038-1098
Publisher
Elsevier
Publication Date
Volume
146
Identifiers
DOI: 10.1016/j.ssc.2008.03.018
Keywords
  • A. Titanium
  • A. Functional Groups
  • D. Hydrogen Storage
Disciplines
  • Earth Science

Abstract

Abstract Using first-principles density-functional electronic structure calculations, we propose functionalized organic molecules decorated with titanium atoms as high-capacity hydrogen storage materials. We study six kinds of functional groups which form complexes with Ti atoms and find that each complex is capable of binding up to six H 2 molecules. Among such complexes, Ti-decorated ethane-1,2-diol can store H 2’s with the maximum gravimetric density of 13 wt% and, under ambient conditions, a practically usable capacity of 5.5 wt%. We also present various forms of storage materials which are obtained by modifying well-known nanomaterials using Ti-functional group complexes.

There are no comments yet on this publication. Be the first to share your thoughts.