Back

Structure and Bonding of Titanium Alanate.

  • Published In: ChemistrySelect, 2024, v. 9, n. 40. P. 1 1 of 3

  • Database: Academic Search Ultimate 2 of 3

  • Authored By: Wu, Junlin; Ma, Li; Liu, Jiang; Chen, Hongshan; Chen, Xiaofeng; Zhang, Sa; Wang, Xiaoxia 3 of 3

Abstract

Titanium alanate Ti(AlH4)4 is a candidate material for high‐density hydrogen storage that thus far has been scarcely investigated. This study determines the low energy structures of Ti(AlH4)4 by adopting a global optimization algorithm combined with density functional theories, and systematically compares their stabilities, electronic structures, and bonding properties with Mg(AlH4)2 and Ca(AlH4)2. Compared to other compounds, Ti(AlH4)4 is less stable and the Ti−H bond is of covalent nature with strong polarities. The covalent Ti−H interaction can weaken the Al−H bonds. Because both the ionic and covalent interactions of the Al−H bonds are the weakest in Ti(AlH4)4, it is favorable for the desorption of hydrogen. [ABSTRACT FROM AUTHOR]

Additional Information

  • Source:ChemistrySelect. 2024/10, Vol. 9, Issue 40, p1
  • Document Type:Article
  • Subject Area:Chemistry
  • Publication Date:2024
  • ISSN:2365-6549
  • DOI:10.1002/slct.202402932
  • Accession Number:180503324
  • Copyright Statement:Copyright of ChemistrySelect is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Looking to go deeper into this topic? Look for more articles on EBSCOhost.