Abstract

The analysis via density functional theory was employed to understand high photocatalytic activity found on the Au–Ag high-noble alloys catalysts supported on rutile TiO2 during the oxygen evolution of water oxidation reaction (OER). It was indicated that the most thermodynamically stable location of the Au–Ag bimetal-support interface is the bridging row oxygen vacancy site. On the active region of the Au–Ag catalyst, the Au site is the most active for OER catalyzing the reaction with an overpotential of 0.60 V. Whereas the photocatalytic activity of other active sites follows the trend of Au > Ag > Ti. This finding evident from the projected density of states revealed the formation of the trap state that reduces the band gap of the catalyst promoting activity. In addition, the Bader charge analysis revealed the electron relocation from Ag to Au to be the reason behind the activity of the bimetallic that exceeds its monometallic counterparts.

Details

Title
On a high photocatalytic activity of high-noble alloys Au–Ag/TiO2 catalysts during oxygen evolution reaction of water oxidation
Author
Malik Anum Shahid 1 ; Liu Taifeng 2 ; Rittiruam Meena 3 ; Saelee Tinnakorn 4 ; Da Silva Juarez L F 5 ; Praserthdam Supareak 1 ; Praserthdam Piyasan 6 

 Chulalongkorn University, High-Performance Computing Unit (CECC-HCU), Center of Excellence on Catalysis and Catalytic Reaction Engineering (CECC), Bangkok, Thailand (GRID:grid.7922.e) (ISNI:0000 0001 0244 7875); Chulalongkorn University, Center of Excellence on Catalysis and Catalytic Reaction Engineering (CECC), Bangkok, Thailand (GRID:grid.7922.e) (ISNI:0000 0001 0244 7875) 
 Henan University, National & Local Joint Engineering Research Center for Applied Technology of Hybrid Nanomaterials, Kaifeng, China (GRID:grid.256922.8) (ISNI:0000 0000 9139 560X) 
 Chulalongkorn University, High-Performance Computing Unit (CECC-HCU), Center of Excellence on Catalysis and Catalytic Reaction Engineering (CECC), Bangkok, Thailand (GRID:grid.7922.e) (ISNI:0000 0001 0244 7875); Chulalongkorn University, Center of Excellence on Catalysis and Catalytic Reaction Engineering (CECC), Bangkok, Thailand (GRID:grid.7922.e) (ISNI:0000 0001 0244 7875); Rittiruam Research Group, Bangkok, Thailand (GRID:grid.7922.e) 
 Chulalongkorn University, High-Performance Computing Unit (CECC-HCU), Center of Excellence on Catalysis and Catalytic Reaction Engineering (CECC), Bangkok, Thailand (GRID:grid.7922.e) (ISNI:0000 0001 0244 7875); Chulalongkorn University, Center of Excellence on Catalysis and Catalytic Reaction Engineering (CECC), Bangkok, Thailand (GRID:grid.7922.e) (ISNI:0000 0001 0244 7875); Saelee Research Group, Bangkok, Thailand (GRID:grid.7922.e) 
 University of São Paulo, São Carlos Institute of Chemistry, São Carlos, Brazil (GRID:grid.11899.38) (ISNI:0000 0004 1937 0722) 
 Chulalongkorn University, Center of Excellence on Catalysis and Catalytic Reaction Engineering (CECC), Bangkok, Thailand (GRID:grid.7922.e) (ISNI:0000 0001 0244 7875) 
Publication year
2022
Publication date
2022
Publisher
Nature Publishing Group
e-ISSN
20452322
Source type
Scholarly Journal
Language of publication
English
ProQuest document ID
2629162580
Copyright
© The Author(s) 2022. This work is published under http://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.