Recent advancements in photoelectrochemical (PEC) water splitting have demonstrated that BiVO4/MXene composites exhibit unprecedented efficiencies, with a reported photocurrent density of 6.8 mA/cm² at 1.23 V vs. RHE under AM 1.5G illumination, a 2.5-fold enhancement over pristine BiVO4. This improvement is attributed to the synergistic effects of MXene's superior electrical conductivity (≈10,000 S/cm) and BiVO4's optimal bandgap (2.4 eV), which collectively enhance charge separation and transport. Density functional theory (DFT) calculations reveal that the interfacial interaction between BiVO4 and MXene reduces the overpotential for oxygen evolution reaction (OER) by 210 mV, further corroborated by electrochemical impedance spectroscopy (EIS) showing a 60% reduction in charge transfer resistance.
The incorporation of MXene into BiVO4 significantly improves light absorption and utilization, as evidenced by UV-Vis spectroscopy showing a 30% increase in absorbance in the visible spectrum (400-700 nm). This enhancement is attributed to MXene's plasmonic properties and its ability to induce localized surface plasmon resonance (LSPR), which amplifies the electric field around BiVO4 nanoparticles. Transient absorption spectroscopy (TAS) measurements reveal that MXene accelerates electron-hole pair separation, reducing recombination lifetime from 12 ns to 3 ns, thereby increasing the quantum efficiency from 45% to 78%. These findings underscore the role of MXene as a co-catalyst in optimizing photon-to-electron conversion.
Stability studies of BiVO4/MXene composites under prolonged PEC operation reveal exceptional durability, with less than 5% degradation in photocurrent density after 100 hours of continuous illumination at pH 7. X-ray photoelectron spectroscopy (XPS) analysis confirms the preservation of chemical states and interfacial bonding between BiVO4 and MXene, even under harsh oxidative conditions. Furthermore, atomic force microscopy (AFM) measurements indicate minimal surface corrosion or delamination, highlighting the robust mechanical integrity of the composite. This long-term stability is critical for scalable solar fuel production, as it reduces maintenance costs and extends operational lifetimes.
Scalability and economic feasibility studies demonstrate that BiVO4/MXene composites can be synthesized via cost-effective hydrothermal methods with a material cost of $0.12/cm², making them competitive with traditional PEC materials like TiO2 ($0.18/cm²). Life cycle assessment (LCA) reveals a carbon footprint reduction of 40% compared to conventional systems due to lower energy consumption during synthesis and higher operational efficiencies. Pilot-scale testing under natural sunlight conditions achieves a solar-to-hydrogen (STH) efficiency of 8.2%, surpassing the U.S. Department of Energy's target of 6% for economically viable PEC systems.
Future research directions focus on optimizing MXene's surface functionalization to further enhance interfacial charge transfer and exploring ternary composites incorporating additional co-catalysts like Co-Pi or FeOOH for multi-functional enhancements. Machine learning models predict that such optimizations could push STH efficiencies beyond 12%, while advanced characterization techniques like operando X-ray absorption spectroscopy (XAS) are expected to provide deeper insights into reaction mechanisms at the atomic scale.
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