中文摘要：

氧还原反应是质子交换膜燃料电池的重要电化学过程。从分子（原子）水平研究氧还原反应对质子交换膜燃料电池催化剂开发具有重要的指导意义。因此,用于分子（原子）水平研究的量子化学方法被引入氧还原反应研究。简要综述了几种常用的氧还原反应量子化学模型及其催化活性指示符,并分析比较了这几种量子化学模型的适用范围。

英文摘要：

Oxygen reduction reaction（ORR）is an important electrochemical process in proton exchange membrane fuel cell（PEMFC）.From the level of molecule（atom）,the study on ORR is significant for the development of catalysts for PEMFC.Therefore,quantum-chemical method,a method is used for studying molecule（atom）,is introduced into the investigation of ORR.Several common quantum-chemical models for ORR and their catalytic active indicators are reviewed.Finally,the scope of application for these quantum-chemical models is analyzed.