Oxoboron Growth {B _<i>n</i> Ni ₆ SiW ₉ } ₂ ( <i>n</i> = 0, 1, 2, 3) for Enhanced Visible-Light-Driven Photocatalytic Hydrogen Production and Photothermal Conversion

Boron is characterized by its small atomic radius, strong electron-accepting ability, and high electronegativity. Oxoboron (B–O) clusters can modify the coordination environment of transition metals, thereby tuning the band gap structure of catalysts and enhancing the light absorption properties of TMAPs. {B n Ni 6 SiW 9 } 2 ( n = 0, 1, 2, 3, corresponding to compounds 1/2/3/ 4, respectively). As the number of boron atoms increased, the band gap structures of catalysts 1 – 4 were rapidly adjusted, with conduction band (CB) positions following the trend 4 < 3 < 2 < 1, leading to progressively enhanced photocatalytic performance. Additionally, the incorporation of B–O clusters enhanced light absorption in the near-infrared region, improving photothermal conversion.