Electrocatalytic water splitting by bifunctional Zircon-doped borophene

The data in the folder represent modified boron for use in electrochemical water splitting half reactions. The oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) play a vital role in renewable energy applications such as water splitting. Borophene, a two-dimensional (2D) boron-based material, has garnered significant attention due to its distinctive electron-deficient nature and potential in energy conversion. However, its practical electrocatalytic performance remains underexplored. In this study, we present a strategy to enhance borophene’s bifunctional catalytic activity for HER and OER by incorporating zirconium compounds. The introduction of Zr into the boron framework improves catalytic efficiency, achieving overpotentials of 252 mV for OER and 240 mV for HER, with corresponding Tafel slopes of 43 and 203 mV/dec. Furthermore, operating at 40°C enables an overall water-splitting potential of 1.541 V (vs. RHE). Long-term stability tests over 1000 hours at ±10 mA/cm² demonstrate the robustness of the composite, surpassing Pt/C in HER performance and exhibiting stability comparable to RuO₂ in OER. Ex-situ characterization techniques, including X-ray photoelectron spectroscopy (XPS), electron paramagnetic resonance (EPR), and X-ray diffraction (XRD), provide deeper insights into the chemical structure evolution during electrochemical operation. This research not only enhances the understanding of borophene’s electrocatalytic properties but also contributes to its potential deployment in efficient and sustainable energy technologies.