Self-supported bifunctional P–CoSe/NF electrodes for high efficiency and durability hydrogen production coupled with sulfion valorization

Integrating sulfide oxidation reaction (SOR) with hydrogen evolution reaction (HER) by electrochemical means to simultaneously valorize sulfion and produce hydrogen is an efficient cleaner production method. Currently, we reported on the fabrication of one succulent-like phosphorus-doped transition metal selenide bifunctional catalyst supported on nickel foam (P–CoSe/NF) for SOR and HER. The unique structure has a significant surface area that allows many active sites to be exposed, enabling the catalyst to have an excellent activity up to 100 mA cm −2 at only 0.362 V. The H 2 Faraday efficiency reaches 97.4% and the rate of sulfur evolution is 26.24 mg h −1 . The durability test demonstrates that the bifunctional catalyst possesses excellent anti-sulfur properties. The Density Functional Theory calculations demonstrate that phosphorus as a dopant is believed to confer an optimal electronic structure and local coordination environment by tuning d electron number. The calculate S 8 ∗ to S 8 was confirmed to have a low energy barrier, indicating the self-cleaning tendency caused by phosphorus doping. This work presents a promising approach utilizing anti-sulfur single-atom-doped transition metal selenide catalysts in electrochemical reaction, representing a significant advancement in achieving low-cost and high value-added using waste resources.