Promoting Oxygen Reduction Reaction on Carbon-based Materials by Selective Hydrogen Bonding
Li Yang1,2,3, Yue Zhang1, Yan Huang4
1Institutes of Physical Science and Information Technology, Anhui University, Hefei, Anhui, 230601, P. R. China.
Chemsuschem
|April 22, 2023
Summary
Researchers developed new carbon catalysts to improve the oxygen reduction reaction (ORR) by selectively tuning intermediate adsorption energies. This strategy breaks scaling limitations, achieving a high limiting potential for efficient energy conversion.
Area of Science:
- Electrochemistry
- Materials Science
- Computational Chemistry
Background:
- The oxygen reduction reaction (ORR) is crucial for energy devices but faces intrinsic scaling limitations.
- Optimizing the ORR limiting potential (UL) is challenging due to the coupled adsorption energies of intermediates (*OOH/*OH).
Purpose of the Study:
- To elucidate a method for selectively tuning *OOH/*OH adsorption energies.
- To design novel carbon-based catalysts for efficient ORR.
Main Methods:
- Utilizing first-principles calculations to understand intermediate interactions.
- Designing and synthesizing novel carbon-based catalysts.
Main Results:
- A strategy was developed to selectively interact with the *OOH intermediate via hydrogen bonding.
- A new linear scaling relationship (ΔG*OOH =ΔG*OH +2.84 eV) was established.
- Novel carbon catalysts exhibited a high UL of 1.06 V.
Conclusions:
- The proposed strategy offers a new pathway for rational catalyst design for ORR.
- This approach has potential applications beyond ORR in other chemical reactions.
- Developed catalysts are low-cost, durable, and feasible to synthesize.
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