Identifying the two-electron oxygen reduction mechanism on BC3 site in Cl- -containing electrolytes
JOURNAL OF ELECTROANALYTICAL CHEMISTRY(2024)
摘要
The electrochemical synthesis of H2O2 has great potential for applications in the treatment of environmental pollution and energy, but the toxic effect of Cl- on the active sites of catalysts has severely limited the application of this technology in these fields. Developing efficient non-metal-doped catalysts represents an effective strategy to address this issue. Although B-doped carbon materials have demonstrated excellent ORR activity, the understanding of the ORR mechanism on B surface sites remains highly controversial, particularly in seawater electrolytes. The influence of Cl- adsorption behavior on the catalytic reaction center mechanism is still unknown. In this paper, catalysts containing the BC3 structure were successfully prepared with an H2O2 yield of 3.55 mol/ (gcat h) in simulated seawater. The DFT results demonstrated that BC3 functions as a 2e- ORR active site, and the presence of Cl- does not poison it. Instead, it promotes the hydrogenation process of *OOH on its surface, further enhancing its ORR performance. The results provide clarity on how the Cl- of the catalytic environment affects the ORR performance and pathway selectivity of non-metallic B-sites. Additionally, the results offer valuable insights for designing electrocatalysts in complex environments.
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关键词
Two -electron oxygen reduction,H 2 O 2 synthesis,Non-metallic catalysts,Chlorine -resistance,B -doped carbon
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