Constructing Atomic-Level Defect as the Catalytic Site by Removing a Single Metal Atom from the Nanoclusters.
basic_science · Level V
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- Record sourced from PubMed, PMID 40587227.
- Also identified by DOI 10.1021/acsnano.5c06625.
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Abstract
In this study, we realized the removal of a single gold atom on the surface of the Au<sub>21</sub>(AdmS)<sub>13</sub>S(F<sub>3</sub>Ph<sub>3</sub>P) (Au<sub>21</sub> for short) cluster by surface engineering and prepared Au<sub>20</sub>(AdmS)<sub>14</sub>(PhPy<sub>2</sub>P) (Au<sub>20</sub> for short) with an atomic-level defect. The structural analysis and comparison showed that the 21st gold atom is directly related to the exposure of the ninth gold atom in the core, which can be a catalytically active site. In catalytic comparison, Au<sub>20</sub> demonstrates more excellent catalytic activity than Au<sub>21</sub> in eCO<sub>2</sub>RR, with the current density of Au<sub>20</sub> being 3 times that of Au<sub>21</sub> at -1.3 V. The maximum FE<sub>CO</sub> of Au<sub>20</sub> is 92.47%, while that of Au<sub>21</sub> is 53.66% at -0.9 V. Finally, theoretical calculations point out that the charge transfer on the ninth gold atom is the most active for the increase in CO<sub>2</sub> adsorption and promotes the CO<sub>2</sub> reduction reaction.