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Modulating Oxygen Evolution Reaction Pathways via (Oxy)Hydroxide-Driven Surface Reconstruction on Ti3C2 MXene

Nur Aqlili Riana Che Mohamad1, Hyunjeong Lee1, Mingming Gong2

  • 1Department of Chemistry and Nanoscience, Division of Molecular and Life Sciences, College of Natural Sciences, Ewha Womans University, 52, Ewhayeodae-gil, Seodaemun-gu, Seoul, 03760, Republic of Korea.

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This study introduces an electro-activated MXene catalyst that enhances the oxygen evolution reaction (OER) by promoting the oxygen path mechanism (OPM) via surface reconstruction, significantly reducing overpotential and increasing current density.

Keywords:
MXeneOERTi3C2electrocatalystoxyhydroxides

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Area of Science:

  • Electrochemistry
  • Materials Science
  • Catalysis

Background:

  • The oxygen evolution reaction (OER) is crucial for energy conversion technologies.
  • Understanding OER pathways, such as adsorbate evolution (AEM) and lattice oxygen mechanism (LOM), is key to catalyst design.
  • The oxygen path mechanism (OPM) offers a promising alternative with facile O-O coupling.

Purpose of the Study:

  • To introduce an electro-activated reduced Ti3C2 MXene (rTi3C2) system for modulating OER pathways.
  • To investigate the role of (oxy)hydroxide species in promoting OER activity.
  • To demonstrate the transition from AEM to OPM on engineered MXene surfaces.

Main Methods:

  • Operando Raman spectroscopy to observe in situ formation of surface species.
  • Electrochemical measurements to assess OER performance (overpotential, current density).
  • First-principles calculations to validate catalytic pathways and energy barriers.

Main Results:

  • Electro-activation of rTi3C2 leads to the formation of (oxy)hydroxide species (rTi3C2-T).
  • The rTi3C2-T system exhibited a 27% reduced OER overpotential and a 67% current density increase.
  • Spectroscopic and computational data confirmed a shift towards the OPM pathway with reduced energy barriers.

Conclusions:

  • Electrochemical surface engineering of MXenes can effectively promote the OPM pathway.
  • The (oxy)hydroxide-rich rTi3C2-T catalyst demonstrates significantly enhanced OER activity.
  • This work highlights a strategy for designing advanced OER catalysts through surface modification.