Recent advancements in Ti3C2/BiVO4 composites have demonstrated exceptional photocatalytic hydrogen evolution rates, achieving up to 12.8 mmol·g⁻¹·h⁻¹ under simulated solar irradiation, a 3.5-fold enhancement compared to pristine BiVO4. This improvement is attributed to the synergistic effect of Ti3C2 MXene's high electrical conductivity (≈10⁴ S·cm⁻¹) and BiVO4's optimal bandgap (2.4 eV), which facilitate efficient charge separation and transfer. Density functional theory (DFT) calculations reveal that the interfacial Schottky junction between Ti3C2 and BiVO4 reduces the work function from 4.8 eV to 4.2 eV, lowering the energy barrier for hydrogen evolution reaction (HER).
The incorporation of Ti3C2 into BiVO4 significantly enhances light absorption across the visible spectrum, with a 40% increase in absorbance at 550 nm. This is due to the localized surface plasmon resonance (LSPR) effect induced by Ti3C2's metallic nature, which broadens the photoresponse range from 400 nm to 800 nm. Time-resolved photoluminescence (TRPL) spectroscopy confirms a prolonged charge carrier lifetime of 12.7 ns in Ti3C2/BiVO4 composites, compared to 6.3 ns in pure BiVO4, indicating reduced recombination rates.
Mechanical stability and durability of Ti3C2/BiVO4 composites have been rigorously tested under continuous photocatalytic operation for 100 hours, showing a mere 5% degradation in hydrogen production efficiency. This robustness is attributed to the strong covalent bonding between Ti3C2 and BiVO4, as evidenced by X-ray photoelectron spectroscopy (XPS), which shows a shift in the Ti 2p binding energy from 454.8 eV to 455.6 eV upon composite formation.
Scalability and economic feasibility studies reveal that Ti3C2/BiVO4 composites can be synthesized at a cost of $0.15 per gram using scalable hydrothermal methods, making them competitive with traditional Pt-based catalysts ($0.50 per gram). Life cycle analysis (LCA) indicates a carbon footprint reduction of 30% compared to conventional HER catalysts, aligning with global sustainability goals.
Future research directions focus on optimizing the Ti3C2/BiVO4 interface through atomic layer deposition (ALD) techniques to achieve sub-nanometer precision, potentially pushing hydrogen production rates beyond 15 mmol·g⁻¹·h⁻¹. Additionally, computational modeling suggests that doping with transition metals like Co or Ni could further enhance HER activity by tuning the d-band center closer to the Fermi level.
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