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May 17, 2026Nature Communications0 citationsOpen Access

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

HWH W WangZWZ W WuJSJunjie Shi

Key Points

  • This study aims to clarify the actual surface structure of Co(10-12) and its influence on CO activation.
  • Investigation of Co(10-12) surface terminations using low-energy electron diffraction (LEED).
  • Preparation of Osub-free Co(10-12)-B surface via H2-induced segregation followed by ion sputtering and annealing.
  • Comparison of CO activation mechanisms on Co(10-12)-A and Co(10-12)-B surfaces.
  • The prepared Co(10-12)-B surface exhibits significantly different atomic coordination with sevenfold, ninefold, and tenfold coordinated Co atoms.
  • Direct CO activation on Co(10-12)-B is much more favored than H-assisted CO activation.
  • Fundamental insights from previous studies on Co(10-12)-A may need to be re-evaluated based on findings from the Co(10-12)-B surface.

Abstract

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. Cobalt catalysts turn carbon monoxide into fuels, but their active surface structure has been uncertain. This study identifies an actual cobalt surface structure and shows it changes how carbon monoxide reacts.

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Cite This Study

Wang et al. (2026) studied this question.

synapsesocial.com/papers/6a095c037880e6d24efe1f87https://doi.org/10.1038/s41467-026-73224-8
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