Synchronously regulating d- and p-band centers of heterojunction photocatalysts by strain effect for solar energy conversion into H2

Difficult dynamical transfer behaviors for charge carriers from generation locations to corresponding reductive and oxidative sites as well as subsequent their splitting H2O with large reaction overpotential have not been solved yet, which seriously impedes the conversion efficiency of solar energy into H2 (STH). Herein, nanocage-like g -C3N4 (C3N4NC) supported Ni2P nanoparticles (Ni2P/C3N4NC) have been constructed for solving the above dynamical bottleneck by synchronously regulating d - and p -band centers using the strain effect. Photo -excited electrons and holes are separately propelled to reductive site (Ni2P) and oxidative site (C3N4NC) within the localized electric field for *-OH dehydrogenation and *-O coupling in the photocatalytic H2O splitting along with an STH of 2.52 % at 65 degrees C under AM 1.5 G irradiation, being explored by in situ diffuse reflectance infrared Fourier transform spectroscopy, in situ X-ray photoelectron spectroscopy and Hall effect tests. The research explores a unique insight to boost STH over heterojunction photocatalysts by synchronously regulating their d - and p -band centers. (c) 2024 Published by Elsevier Ltd on behalf of The editorial office of Journal of Materials Science & Technology.