基于反钙钛矿结构PtMn3N的新型PEMFC阴极催化剂的研究

阴极催化剂是制约质子交换膜燃料电池（PEMFC）商业化的瓶颈，目前PEMFC中使用的催化剂存在铂用量高、稳定性不足的问题，因此亟需研制新型的低铂高效、长寿命电催化剂。针对上述问题，本项目基于课题组前期铂基金属间化合物方面的研究基础，拟开展基于反钙钛矿结构PtMn3N的燃料电池催化剂的研究。通过对过渡金属Mn腐蚀行为的研究揭示腐蚀过程的影响因素和增强催化剂稳定性的机制，并进一步通过表面去合金-热处理方法构建表面富铂的高性能PtMn3N@Pt核壳催化剂。另外，基于反钙钛矿的特性，通过调控PtMn3N的组分实现催化剂活性和稳定性进一步增强。本项目将通过密度泛函计算结合催化性能和表面结构阐明基于PtMn3N的催化剂的构效关系及催化机理。本项目的实施将为发展低铂高效、长寿命的反钙钛矿结构催化剂奠定理论及应用基础。

Cathode catalyst for oxygen reduction is the bottleneck restricting the commercialization of fuel cell vehicles. Currently, the employed cathode catalysts for PEMFC are suffering from the high Pt loading and poor durability. Therefore, it is urgent to develop new highly efficient and durability fuel cell catalysts with low Pt content. Considering the above issues and following our previous research on Pt-based intermetallic catalysts, this project intends to carry out the design and research on the antiperovskite nitride PtMn3N electrocatalysts for PEMFC. Through the study of the corrosion behavior of transition metal Mn, the project designs to reveal the influencing factors of the corrosion process and the mechanism of enhancing the stability of the catalyst. Furthermore, the high-performance PtMn3N@Pt core-shell catalyst with Pt shell will be constructed by the method of surface dealloying and heat treatment. In addition, based on the composition flexibility of the antiperovskite nitride, the activity and stability of the catalyst will be further enhanced by adjusting the component of PtMn3N. This project will clarify the structure-activity relationship and catalytic mechanism of PtMn3N catalyst by density functional calculation combined with catalytic performance and surface structure. The implementation of this project will lay the theoretical groundwork and provide practical implications for the development of highly efficient and durable antiperovskite nitride catalysts with low Pt content.