Intraplanar heteroatom doping is an effective way to control the electronic structure and active sites of electrocatalysts by reducing the Gibbs free energy of the hydrogen evolution reaction (HER), as well as to improve the intrinsic electrical conductivity of the catalyst. Here, iron-doped tungsten disulfide (Fe-doped WS₂) nanosheet arrays were synthesized on carbon cloth by solvothermal method. The experiment and first principle calculation results demonstrate that doping of iron can not only increase the charge transfer rate and reduce the interface transfer resistance, but also increase the active surface area and arouse the in-plane inert sites, thereby improving the HER activity of WS₂. The optimal sample shows the overpotential of 166 mV (10 mA cm⁻²) and the Tafel slope of 82.2 mV dec⁻¹ in 0.5 M H₂SO₄. This finding reveals that introducing dopant is a universal tool to regulate the electronic structure of WS₂ and then to further improve its electrocatalytic activity.

面内杂原子掺杂是通过降低析氢反应（HER）的吉布斯自由能来控制电催化剂的电子结构和活性位点，以及提高催化剂的本征电导率的有效方法。在这里，通过溶剂热法在碳布上合成了铁掺杂的二硫化钨（Fe 掺杂的 WS ₂）纳米片阵列。实验和第一性原理计算结果表明，铁的掺杂不仅可以提高电荷转移速率，降低界面转移电阻，还可以增加活性表面积，激发面内惰性位点，从而提高WS的HER活性。₂ . 最佳样品显示过电位为 166 mV (10 mA cm ^-2) 和 82.2 mV dec ^-1在 0.5 MH ₂ SO _{4 中}的塔菲尔斜率。这一发现表明，引入掺杂剂是调节 WS ₂电子结构并进一步提高其电催化活性的通用工具。