In this work, S doped Fe₂B (Fe₂B-S) was synthesized by sintering method and applied for the enhanced dechlorination of trichlorethylene (TCE). The degradation ratio (D) of TCE was 99.8% with reaction rate constant (k_obs) of 0.956 h⁻¹ by 10.0at% S doped Fe₂B (corresponding to Fe₂B-S_10.0), compared to D and k_obs values 37.3% and 0.067 h⁻¹ by Fe₂B, respectively. The major dechlorination products of acetylene, ethene, ethane and C₃-C₆ hydrocarbon compounds were observed from a reductive β-elimination pathway. S doped and undoped Fe₂B could form the first-level in-situ galvanic cell, and the returned S provided a second-level galvanic cell to further enhance electron transfer. The doped S worked as electron donor to increase the density of localized unpaired electrons, and the electron enriched Fe atoms leading to stronger reducibility were verified by the density functional theory (DFT) calculation. This work provides a complete insight into the enhancement mechanism of S doped Fe₂B and guides the potential design of zero-valent iron (ZVI) with properties tailored for chlorinated hydrocarbons dechlorination.

在这项工作中，通过烧结法合成了S 掺杂的 Fe ₂ B (Fe _{2 B-S)，并将其应用于三氯乙烯 (TCE) 的强化脱氯。}TCE 的降解率 (D) 为 99.8%，反应速率常数 ( k _obs ) 为 0.956 h ^-1 10.0at% S 掺杂的 Fe ₂ B（对应于 Fe ₂ B-S _10.0），与 D 和k _obs值 37.3相比% 和 0.067 h ^-1分别为 Fe ₂ B。_{乙炔、乙烯、乙烷和C 3} -C ₆碳氢化合物的主要脱氯产物由还原β观察到-消除途径。S掺杂和未掺杂的Fe ₂ B可以形成一级原位原电池，返回的S提供二级原电池以进一步增强电子转移。掺杂的S充当电子供体以增加局部未成对电子的密度，并且通过密度泛函理论（DFT）计算验证了电子富集的Fe原子导致更强的还原性。_{这项工作提供了对 S 掺杂 Fe 2} B的增强机制的完整见解，并指导了零价铁 (ZVI) 的潜在设计，该零价铁具有适合氯化烃脱氯的特性。