This research aims to explore the role of the p-band center in enhancing the efficiency of p-block-functionalized carbon for electrochemical CO2 reduction.
Theoretical analysis of p-block-functionalized carbon structures
Examination of p-band center characteristics
Assessment of volcano-type activity correlation
Identified p-band center as a crucial factor in catalytic activity
Unlocked potential for improved electrochemical CO2 reduction performance
Demonstrated activity trends consistent with volcano-type behavior
Abstract
The p-band center is identified as a key descriptor to unlock the volcano-type activity of the p-block-functionalized carbon for CO 2 reduction.