TY - JOUR
T1 - The Effectiveness of Silver and Gold in Catalytic Homogenous and Heterogenous Borohydride Hydrolysis – a DFT Study
AU - Raju Karimadom, Basil
AU - Kornweitz, Haya
N1 - Publisher Copyright:
© 2024 The Authors. ChemPhysChem published by Wiley-VCH GmbH.
PY - 2024/7/15
Y1 - 2024/7/15
N2 - 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.
AB - 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.
KW - Borohydride
KW - DFT
KW - Heterogeneous Catalysis
KW - Homogeneous Catalysis
KW - Hydrolysis
UR - http://www.scopus.com/inward/record.url?scp=85194500918&partnerID=8YFLogxK
U2 - 10.1002/cphc.202400253
DO - 10.1002/cphc.202400253
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AN - SCOPUS:85194500918
SN - 1439-4235
VL - 25
JO - ChemPhysChem
JF - ChemPhysChem
IS - 14
M1 - e202400253
ER -