二硫化钼作为贵金属电化学析氢催化剂铂的替代材料之一，具有资源和成本优势，如何获得高性能二硫化钼析氢催化剂，是实现低成本高效制氢的关键。本项目基于活性位数量、质量及电子传输效率协同调控的设计思路，从结构功能化设计的角度出发，通过引入具有较高活性和良好电子传输效率的单分子层1T-MoS2纳米片结构作为载体，实现高活性密度Co促助2H-MoS2纳米片与1T-MoS2纳米片的定向组装，构筑Co促助1T/2H多型复合结构，解决高活性密度与良好电子传输效率之间的矛盾性、复合结构与析氢性能之间的相关性等关键科学问题，提高综合析氢性能。同时，基于复合结构与析氢性能之间的构效关系和第一性原理计算，揭示其析氢机制和性能优化机理，为开发高效电化学析氢催化剂提高理论依据。本项目的顺利开展，有助于促进制氢技术的快速发展和高效析氢催化剂的开发，推动氢能源的低成本制造和规模化应用，具有重要的理论和实践意义。

As one of the candidates to replace the noble-metal electrocatalyst of Pt for the hydrogen evolution reaction, molybdenum disulfide shows the advantages of low cost and abundant reserves. And how to obtain high-performance molybdenum disulfide hydrogen evolution catalysts is the key to realize the low-cost and highly effective hydrogen evolution. Considering the effective coordinated regulation among the amount and quality of active sites and the electronic transmission efficiency and adopting highly active and conductive monolayer 1T-MoS2 nanoflakes as supports, a novel Co promoted 1T/2H complex structure will be functionally designed and constructed in this project, in which 2H-MoS2 nanosheets with high active site density will be assembled directionally with monolayer 1T-MoS2 nanoflakes. And then, the contradiction can be eliminated between the high active site density and the excellent electronic transmission efficiency, and the relationship between complex structures and hydrogen evolution functions can also be clarified, resulting in a great improvement of the final hydrogen evolution performance. Moreover, the mechanism of hydrogen evolution reaction and performance optimization will also be discovered according to the first principle calculations and the relationship between complex structures and hydrogen evolution functions, providing the theory evidence for the development of highly efficient hydrogen evolution electrocatalysts. Consequently, this project is of great theoretical and practical significance in promoting the fast development of the hydrogen evolution technique and the exploration of highly efficient hydrogen evolution catalyst, and further motivating the low-cost production and large-scale application of hydrogen energy.