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<p>Transition-metal oxides offer a low-cost alternative to precious metals for environmental catalysis, yet CO oxidation under humid and sulfur-laden conditions remains challenging due to rapid poisoning. Herein, we report an atomic dispersion of Ti‑decorated MnO<i>x</i>-Fe<sub>2</sub>O<sub>3</sub> catalyst that achieves high activity and remarkable H<sub>2</sub>O/SO<sub>2</sub> resistance. Atomically dispersed Ti provides electron-accepting <i>3d</i> states from O <i>2p</i> orbitals, which redistributes and stabilizes selected O <i>2p</i> states while modifying their hybridization with neighboring Mn/Fe <i>3d</i> orbitals. The localized electronic restructuring strengthens CO adsorption and facilitates lattice oxygen activation via a Mars-van Krevelen (MvK)-like mechanism, lowering the apparent activation energy to 64.59 kJ/mol. Simultaneously, Ti-O-Fe interfaces weaken SO<sub>2</sub> adsorption (from −1.96 eV to −0.19 eV) and suppress H<sub>2</sub>O competition, retaining &gt;55% CO conversion under 10 vol% H<sub>2</sub>O and 10 ppm SO<sub>2</sub>, far surpassing the parent oxide (&lt;10%). The orbital tuning strategy enables scalable poison resistant catalysts for industrial emission control, reducing reliance on precious‑metal systems.</p>

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Atomically dispersed Ti on MnOx-Fe2O3 tailors O 2p orbitals for CO oxidation and H2O/SO2 resistance

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年8月5日

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  • Yongqi Zhao,
  • Pu Wang,
  • Junjie Jiang,
  • Ziwei Zhao,
  • Aorui Xiu,
  • Xiaolong Liu,
  • Tingyu Zhu

摘要

Transition-metal oxides offer a low-cost alternative to precious metals for environmental catalysis, yet CO oxidation under humid and sulfur-laden conditions remains challenging due to rapid poisoning. Herein, we report an atomic dispersion of Ti‑decorated MnOx-Fe2O3 catalyst that achieves high activity and remarkable H2O/SO2 resistance. Atomically dispersed Ti provides electron-accepting 3d states from O 2p orbitals, which redistributes and stabilizes selected O 2p states while modifying their hybridization with neighboring Mn/Fe 3d orbitals. The localized electronic restructuring strengthens CO adsorption and facilitates lattice oxygen activation via a Mars-van Krevelen (MvK)-like mechanism, lowering the apparent activation energy to 64.59 kJ/mol. Simultaneously, Ti-O-Fe interfaces weaken SO2 adsorption (from −1.96 eV to −0.19 eV) and suppress H2O competition, retaining >55% CO conversion under 10 vol% H2O and 10 ppm SO2, far surpassing the parent oxide (<10%). The orbital tuning strategy enables scalable poison resistant catalysts for industrial emission control, reducing reliance on precious‑metal systems.