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<p>The hexagonal close-packed Co(10-12) surface has two atomic arrangements. The Co(10-12)-A termination, featuring sevenfold, eightfold, and elevenfold coordinated Co atoms, has been predominantly adopted in previous studies, based on a low-energy electron diffraction (LEED) intensity/voltage study of a Co(10-12) single crystal. Herein, we show that subsurface oxygen species (O<sub>sub</sub>) in Co(10-12) single crystal, hardly removed by the routine method of ion sputtering followed by annealing, affects the LEED spot intensity profile. Via a strategy of H<sub>2</sub>-induced segregation of O<sub>sub</sub> followed by ion sputtering and annealing, a O<sub>sub</sub>-free clean Co(10-12) surface is prepared and exhibits the Co(10-12)-B termination with sevenfold, ninefold, and tenfold coordinated Co atoms. Direct CO activation is much favored than H-assisted CO activation on Co(10-12)-B surface, different from previous reports on Co(10-12)-A surface. Thus, relevant fundamental understanding of Fischer-Tropsch synthesis on Co catalysts previously acquired using Co(10-12)-A surface needs to be reconsidered using Co(10-12)-B surface.</p>

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The actual Co(10-12) surface structure and CO activation

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年5月15日

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  • Haocheng Wang,
  • Zongfang Wu,
  • Junjie Shi,
  • Zichen Li,
  • Peijun Hu,
  • Weixin Huang

摘要

The hexagonal close-packed Co(10-12) surface has two atomic arrangements. The Co(10-12)-A termination, featuring sevenfold, eightfold, and elevenfold coordinated Co atoms, has been predominantly adopted in previous studies, based on a low-energy electron diffraction (LEED) intensity/voltage study of a Co(10-12) single crystal. Herein, we show that subsurface oxygen species (Osub) in Co(10-12) single crystal, hardly removed by the routine method of ion sputtering followed by annealing, affects the LEED spot intensity profile. Via a strategy of H2-induced segregation of Osub followed by ion sputtering and annealing, a Osub-free clean Co(10-12) surface is prepared and exhibits the Co(10-12)-B termination with sevenfold, ninefold, and tenfold coordinated Co atoms. Direct CO activation is much favored than H-assisted CO activation on Co(10-12)-B surface, different from previous reports on Co(10-12)-A surface. Thus, relevant fundamental understanding of Fischer-Tropsch synthesis on Co catalysts previously acquired using Co(10-12)-A surface needs to be reconsidered using Co(10-12)-B surface.