Designing and developing cost-effective, high-performance catalysts for hydrogen evolution reaction (HER) is crucial for advancing hydrogen production technology. Tungsten-based sulfides (WS) exhibit great potential as efficient HER catalysts, however, the activity is limited by the larger energy required for water dissociation under alkaline conditions. Herein, we adopt a top-down strategy to construct heterostructure Co-WS nanofiber catalysts. The experimental results and theoretical simulations unveil that the work functions-induced built-in electric field at the interface of Co-WS catalysts facilitates the electron transfer from Co to WS, significantly reducing water dissociation energy and optimizing the Gibbs free energy of the entire reaction step for HER. Besides, the self-supported catalysts of Co-WS nanoparticles confining 1D nanofibers exhibit an increased number of active sites. As expected, the heterostructure Co-WS catalysts exhibit remarkable HER activity with an overpotential of 113 mV to reach 10 mA cm and stability with 30 h catalyzing at 23 mA cm. This work can provide an avenue for designing highly efficient catalysts applicable to the field of energy storage and conversion.

中文翻译：

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合理设计优化电子结构的Co-WS2催化剂以增强析氢反应

设计和开发用于析氢反应（HER）的经济高效的高性能催化剂对于推进制氢技术至关重要。钨基硫化物（WS）作为高效的HER催化剂具有巨大的潜力，然而，其活性受到碱性条件下水解离所需的较大能量的限制。在这里，我们采用自上而下的策略来构建异质结构Co-WS纳米纤维催化剂。实验结果和理论模拟表明，功函数在Co-WS催化剂界面处诱导的内置电场促进了电子从Co到WS的转移，显着降低了水解离能并优化了整个反应的吉布斯自由能为她迈出一步。此外，限制一维纳米纤维的Co-WS纳米粒子的自支撑催化剂表现出更多的活性位点。正如预期的那样，异质结构 Co-WS 催化剂表现出显着的 HER 活性，达到 10 mA cm 的过电位为 113 mV，并且在 23 mA cm 下催化 30 小时保持稳定性。这项工作可以为设计适用于能量存储和转换领域的高效催化剂提供途径。