Theoretical study on an oxygen-modified phosphorene autogenous Z-scheme heterojunction for hydrogen evolution

We propose a novel strategy for the construction of Z-scheme heterojunction photocatalyst based on in situ chemical modification and autogenous black phosphorus nanosheets. Such heterostructures have negligible lattice mismatch ratio and fast electron transfer rate, which would provide a highly universal and efficient design and synthesis strategy with guiding significance for Z-scheme heterojunctions.