In this work, I^–-doped Bi₂WO₆ composites were synthesized using a one-step hydrothermal method, and the effect of iodine doping on their photocatalytic efficiency in gas-phase elemental mercury removal was evaluated under visible-light irradiation. The results showed that 1.0 wt.% iodine doped Bi₂WO₆ exhibited the optimal Hg⁰ removal efficiency of 87.6 % and 97.5 % under N₂+O₂+CO₂ and N₂+O₂+CO₂+SO₂+NO conditions, respectively. The improved photocatalytic activity of Bi₂WO₆ can be ascribed to the reduction in the potential energy of its conduction band and recombination rate of electron-hole pairs, as well as the acceleration of charge transfer. The density functional theory calculations showed that iodine was doped in the (WO₄)^2– layer and oxidized HgO can be adsorbed on the surface of I^– doped Bi₂WO₆. The O_Bi site was found to be exhibit weak adsorption with respect to HgO, implying that most conducive to the desorption of HgO. Finally, the photocatalysis mechanisms was elaborated.

在这项工作中，我^-掺杂的Bi ₂ WO _6层的复合材料，使用一步法水热法合成，和碘掺杂对在气相中的元素汞去除其光催化效率的影响可见光照射下进行评价。结果表明，在N ₂ + O ₂ + CO ₂和N ₂ + O ₂ + CO ₂ + SO ₂ + NO下，1.0 wt。％的碘掺杂的Bi ₂ WO ₆的最佳Hg ⁰去除效率为87.6％和97.5％。条件。Bi ₂ WO的改进的光催化活性可以将图₆归因于其导带的势能的降低和电子-空穴对的复合率的降低以及电荷转移的加速。密度泛函理论计算表明，碘是在（WO掺杂₄）^2-层和氧化氧化汞，可吸附于我的表面上^-掺杂的Bi ₂ WO ₆。发现O _Bi位置相对于HgO表现出较弱的吸附性，这表明最有利于HgO的解吸。最后，阐述了光催化机理。