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Effect of adsorbed water molecules on reaction profile of CO oxidation catalyzed by Au5 nanoclusters

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Title Effect of adsorbed water molecules on reaction profile of CO oxidation catalyzed by Au5 nanoclusters
 
Creator Yadav, Jyoti
Bhardwaj, Yayatika
Saini, Sangeeta
 
Subject CO oxidation
Gold nanoclusters
Reaction profile
DFT
Catalysis
 
Description 49-56
CO oxidation is an important reaction from the perspective of environment remediation techniques. The improvised,
better end-of-pipe solution are desired to reduce the impact of anthropogenic activities on the environment. CO oxidation
can take place at the surface of gold nanoparticles even at low temperatures, thereby providing solution to cold-emission
problem. In this study, we explore the effect of water in adsorbed state on the reaction profile of CO oxidation catalysed by
gold nanoclusters. It has been found that the main effect of water adsorbed onto gold nanoclusters is to reduce the barrier for
carbonate formation. The carbonate formation is reported to negatively impact the catalytic properties of gold nanocluster.
Here, we also report an alternative pathway through which the carbonate decomposition can be accomplished leading to the
regeneration of the catalyst surface. This Eley – Rideal pathway involves reaction between CO and nanocluster-carbonate
adduct. No effect of adsorbed water on energetics of carbonate decomposition at the surface of gold nanocluster has been
observed.
 
Date 2024-01-23T10:05:28Z
2024-01-23T10:05:28Z
2024-01
 
Type Article
 
Identifier 2583-1321 (Online); 0019-5103 (Print)
http://nopr.niscpr.res.in/handle/123456789/63222
https://doi.org/10.56042/ijc.v63i1.2369
 
Language en
 
Publisher NIScPR-CSIR, India
 
Source IJC Vol.63(01) [Jan 2024]