Currently, the MN4 structure, in which metal and its coordinating pyridine N form a planar configuration, is widely recognized in the industry. Exploration of the relationship between the structure and performance of catalytic sites is still ongoing. DFT calculations show that the inherent ORR activity of the M-N-C catalyst center metal atom displays a volcano curve [30]. In order to approach the theoretically optimal catalytic performance (closer to the peak of the volcano curve), people have attempted to modify the structure of catalytic sites and enhance the intrinsic activity of active sites by adjusting the microenvironment of the catalyst active site center.

翻译成英文:目前金属及其配位吡啶N形成平面构型的MN4结构被业界广泛的承认对催化位点的结构和性能之间关系的探索仍然在继续。DFT计算表明M-N-C催化剂中心金属原子的固有ORR活性显示出火山曲线30。为了接近理论最优催化性能更接近火山曲线峰值人们试图对催化位点的结构进行修改通过催化剂活性位点中心的微环境调整【】提升活性位点的本征活性。

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