H 2 O 2 formation mechanisms on the (1 1 2) and (3 1 0) facets of SnO 2 via water oxidation reaction with the participation of Bicarbonate: DFT and experimental Investigations
Applied Surface Science, ISSN: 0169-4332, Vol: 596, Page: 153634
2022
- 10Citations
- 6Captures
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Article Description
The H 2 O 2 formation mechanisms on the (1 1 2) and (3 1 0) facets of SnO 2 via the water oxidation reaction (WOR) with participation of bicarbonate are investigated by density functional theory calculations and electrochemical measurements. Both computational and experimental results show that H 2 O 2 generation is hindered on the surfaces of SnO 2 in the absence of HCO 3 species. In contrast, more H 2 O 2 is detected for SnO 2 films tested in HCO 3 − aqueous solution than those measured in non-bicarbonate electrolyte. Nevertheless, our kinetic simulations suggest that the co-adsorption of HCO 3 species adjacent to H 2 O on the (1 1 2) and (3 1 0) surfaces of SnO 2 do not effectively promote the two-electron WOR to form H 2 O 2. Considering that the H 2 O 2 production scales linearly with the concentration of HCO 3 −, bicarbonate is likely to directly participate in the process of H 2 O 2 generation as a catalytic medium. That is, the mechanism that H 2 O 2 is formed through the hydrolyzation of HCO 4 − that is produced by the peroxidation of HCO 3 − is likely. Our calculations show that H 2 O 2 is formed through this route on both (1 1 2) and (3 1 0) facets of SnO 2. In addition, the (1 1 2) surface of SnO 2 is kinetically favored for H 2 O 2 generation compared to the (3 1 0) facet.
Bibliographic Details
http://www.sciencedirect.com/science/article/pii/S0169433222011850; http://dx.doi.org/10.1016/j.apsusc.2022.153634; http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=85130333308&origin=inward; https://linkinghub.elsevier.com/retrieve/pii/S0169433222011850; https://dx.doi.org/10.1016/j.apsusc.2022.153634
Elsevier BV
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