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75, and 2, respectively; (iii) CO activation via direct dissociation can occur at the surface C vacancies (e.g., with a barrier of 1.1 eV) that are created dynamically via hydrogenation. These atomic-level understandings facilitate the building of the structure-activity correlation and designing better FT catalysts.Modeling the ultrafast photoinduced dynamics and reactivity of adsorbates on metals requires including the effect of the laser-excited electrons and, in many cases, also the effect of the highly excited surface lattice. Althou

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