Promoting H2O2 Production Via 2-Electron Oxygen Reduction By Coordinating Partially Oxidized Pd with Defect Carbon

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  • Type:
    Conference Presentation
  • Conference Type:
    AIChE Annual Meeting
  • Presentation Date:
    November 8, 2021
  • Duration:
    18 minutes
  • Skill Level:
    Intermediate
  • PDHs:
    0.50

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Electrochemical synthesis of H2O2 via 2e− oxygen reduction reaction (ORR) is a cost efficient and environmentally friendly alternative to the industrial anthraquinone oxidation method In this study, we show that Pd clusters loaded in oxidized carbon nanotubes has supreme activity and selectivity towards H2O2 synthesis in acidic media. We calculated the ground state geometry of modeled structures with epoxy functional group and most stable O*/HO* covered Pd nano clusters with varying sizes using DFT methods. The results are summarized in a Sebatier principle-based activity volcano plot. Herein, the calculated limiting potential (UL) is used an activity descriptor. The results show that the calculated UL approaches to maximum values in the presence of epoxy functional groups. Our calculations suggest that there is a synergistic effect between Pd and oxygen functional groups in oxidized carbon which enables efficient H2O2 formation. Finally, the selectivity towards H2O2 formation is reported to be 98% in acidic media with an activity comparable with the state of art Pd/Hg alloy.


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