The Effectiveness of Silver and Gold in Catalytic Homogenous and Heterogenous Borohydride Hydrolysis – a DFT Study

Basil Raju Karimadom, Haya Kornweitz

Research output: Contribution to journalReview articlepeer-review

Abstract

Energy demands, and environmental aspects raised the need to study hydrogen-carrying material such as borohydride for the practical usage of hydrogen as a cleaner and more efficient fuel. A proper understanding of the hydrogen generation mechanism is a key requirement for the designing of efficient catalysts, as the non-catalytic hydrolysis of borohydride in non-acidic media is a slow process. The hydrolysis mechanism of borohydride varies considerably using homogeneous and heterogeneous catalysts. A comparison of the hydrolysis mechanism of borohydride using gold and silver as homogenous and heterogeneous catalysts is given in this review. Unexpectedly, with gold catalyst, Au+ or Au(111), only two steps of hydrolysis occur and BH(OH)2 is produced, while with silver catalyst, Ag+ or Ag(111), the hydrolysis can proceed to completion.

Original languageEnglish
JournalChemPhysChem
Early online date20 Apr 2024
DOIs
StatePublished Online - 20 Apr 2024

Keywords

  • Borohydride
  • DFT
  • Heterogeneous Catalysis
  • Homogeneous Catalysis
  • Hydrolysis

All Science Journal Classification (ASJC) codes

  • Atomic and Molecular Physics, and Optics
  • Physical and Theoretical Chemistry

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