Fig. 4: Stability of Au-SAs trapped in defect sites of a carbon surface.
From: Stabilizing mechanism of single-atom catalysts on a defective carbon surface
a–g The bonding structures of Au-SAs trapped in the defect site of a carbon surface that contains a a single vacancy (1-V), (b) divacancy (2-V), c trivacancy (3-V), d four vacancies (4-V), e five vacancies (5-V), f six vacancies (6-V), and g seven vacancies (7-V), respectively. Note that different bonding structures could be possible for a given defect type. The corresponding bonding energy per Au-SA in each bonding structure is also provided. h The binding energy of a Au-SA on a defect-free carbon surface (labeled as 0-V, 0.45 eV) is significantly lower than that of a Au-SA trapped in various defect sites (ranging from 2.73 to 9.56 eV). i The trace of a Au-SA on a defect-free carbon surface, and j the trace of a Au-SA trapped in various types of defect sites over the time at 3000 K.
