Work

Regulation of d-band centers in layered double hydroxide nanocages through Zn doping for improved photocatalytic CO 2 reduction

Year: 2025

Type: article

Abstract: Efficient photocatalytic CO2 reduction to valuable fuels is an ideal strategy for addressing the energy and environmental crisis. Herein, we developed the Zn-incorporated hollow nanocages, assembled by NiCo-layered double hydroxide ultrathin nanosheets (NiCoZnx-LDH), as highly efficient photocatalysts. Spectroscopic characterization and theoretical calculations demonstrate that Zn doping leads to an upshift of the d-band center of Ni-Co dual sites, increasing unoccupied antibonding orbitals and enhancing the binding strength of adsorbates. Therefore, NiCoZn0.10-LDH with the upgrade of d-band shows a lower •CO2– formation energy, resulting in a more effective stabilization of the rate-limiting •CO2– intermediate. This boosts the overall CO2 photoreduction performance over NiCoZn0.10-LDH, resulting in a high CO yield of 158.1 μmol·g–1·h–1 with 92.1% selectivity. Our findings enrich the fundamental understanding of the CO2 activation mechanism and provide additional insights into the d-band center theory to enhance the photocatalytic activity for overall CO2 reduction.

Source: Nano Research Energy

DOI: 10.26599/nre.2025.9120191