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Figure 6. Correlation between C–C Distance and Coverage for Cu-Catalyzed Coupling. Surfaces such as Cu(310) with smaller C–C
distances and higher characteristic coverages are identified as optimal for C–C coupling, enhancing selectivity for C products in CO 2
2+
reduction reactions. The inset illustrates the surface model of Cu(310).
DECLARATIONS
Authors’ contributions
Conceptualization, data curation, investigation, methodology, validation, writing - original draft and
revisions: Wu, S.; Li, S.; Zheng, S.
Methodology, discussion, data analysis: Zhang, W.; Zhang, M.
Supervision, methodology, writing - review: Li, S.; Pan, F.; Zheng, S.
Availability of data and materials
The rata data supporting the findings of this study are available within this Article and its Supplementary
Materials. Further data are available from the corresponding authors upon request. All the codes are
provided at https://github.com/PKU-WuSL/facet-dependent-coverage.
Financial support and sponsorship
This work was supported by the National Natural Science Foundation of China (22402163), the Natural
Science Foundation of Xiamen, China (3502Z202472001), the Soft Science Research Project of Guangdong
Province (No. 2017B030301013), the Basic and Applied Basic Research Foundation of Guangdong Province
