同时结合电化学测试和第一性原理计算，模拟吡啶氮原子所形成的活性中心和氧

At the same time, combined with electrochemical tests and first-principles calculations, simulate the relationship between the adsorption of pyridine nitrogen atoms and oxygen molecules and the ORR electrocatalytic performance, and explore the interaction between the chemical composition and structure of electrocatalytic materials and the ORR electrocatalytic performance. The structure-activity relationship between them reveals the chemical nature of active sites and deepens the understanding of surface electrocatalytic reactions.

At the same time, combined with electrochemical testing and first-nature calculation, the relationship between the adsorption of active centers and oxygen molecules formed by nitrous atoms and orR electro catalytic properties is simulated, the relationship between the chemical composition and structure of electro-catalytic materials and the electro-catalytic properties of ORR is explored, the chemical nature of active points is revealed, and the cognition of surface electro-catalytic reactions is deepened.

At the same time, the relationship between orr electrocatalytic performance and the active center formed by pyridine nitrogen atom and the adsorption of oxygen molecule was simulated by electrochemical test and first principles calculation. The structure-activity relationship between the chemical composition and structure of electrocatalytic materials and orr electrocatalytic performance was explored to reveal the chemical nature of active sites and deepen the understanding of surface electrocatalytic reaction.<br>