摘要：We present semiempirical modeling of conceptually new CdxZn1-xO/Niy Cd1-yO based nanostructured photoanode, composed of three sublayers: Absorber (ABS), Grading (GRAD) and Barrier (BAR), for highly efficient photocatalytic water dissociation. Our modeling resulted into ABS made of Cd0.55Zn0.45O due to its favorable positions of the valence and conduction band on the water splitting potentials and a band gap ∼2.0 eV. The GRAD was composed of CdxZn1-xO with a gradual decrease of x across the profile, resulting in a gradual band gap change from 2.0 to 3.1 eV. At the same time, GRAD provides the profile with an implanted electrical field that improves the hole survival rate. The BAR was engineered in a manner that provides 1 eV barrier in the conduction band. It was made of 50 nm thick Ni0.4Cd0.6O film with Eg ∼3.0 eV. The BAR’s valence band is well aligned to the one of the GRAD, providing a barrier-free hole transport. In this paper, we prove that the proposed modeling of the three individual layers clearly represents a new paradigm for an improved efficiency for photoelectrochemical water splitting.
关键词：CdxZn1-xO/Niy
Cd1-yO; photoanodes; water splitting; voltammetry;
IPCE energy efficiency
