Green electrochemical ozone production via water splitting: mechanism studies

Abstract

The use of electrocatalysts to form ozone-based green energy-saving methods by means of an aqueous solution provides a very attractive alternative to conventional high-energy, cold-corona discharges. In a large number of electrocatalytic catalysts for electrochemical synthesis of ozone, lead oxide (beta]-of PbO 2 ) and tin oxide (of SnO 2 ) based catalysts most effectively at room temperature. this work is calculated by the density functional theory, the formation mechanism of the above two ozone catalyst. both catalysts β- of PbO 2 and nickel / antimony-doped tin oxide (of Ni / Sb-of SnO 2 ) of the (110) crystal plane of the most stable, it is of particular interest-of PbO beta] 2 (110) and of Ni / Sb-of SnO 2 (110) surface occurs the last two steps of the reaction, i.e., formation of oxygen and ozone, may simulate the water decomposition mechanism. the results showed that of PbO-beta] 2 under the action of the catalyst, ozone is formed to follow the Eley-Rideal mechanism, and the Ni / Sb-SnO 2 , the opposite surface of the formation mechanism of ozone, which is formed by the Langmuir-Hinshelwood mechanism of PbO-beta]. 2 mainly modeled as a solid - liquid phase, of Ni / Sb-of SnO 2 mainly modeled as a gaseous phase adsorption energy is calculated to obtain (E ADS ), Gibbs free energy (ΔG) and activation energy (E ACT ), etc. Mechanics parameter values, and the analysis and comparison of these results with a catalyst to provide a basis for the design and development of new high current efficiency of the electrochemical system ozone reduction.