Atomistic understanding of enhanced selectivity in photocatalytic oxidation of benzyl alcohol to benzaldehyde using graphitic carbon nitride loaded with single copper atoms

the hole transfer pathway. The role of Cu as a hole-transfer site updates the received understanding that surface-loaded Cu serves as an electron-accumulation site. A strong correlation is observed between the electron population at steady-state and the product yield, indicating that it could serve as a promising performance indicator for the design of future photocatalysts.