催化作用
纳米颗粒
氧还原
耐久性
氧还原反应
密度泛函理论
金属
贵金属
材料科学
纳米技术
计算化学
化学
电极
物理化学
有机化学
电化学
复合材料
作者
Xiaochun Xu,Xinyi Li,Wenting Lu,Xiaoyuan Sun,Hong Huang,Xiaoqiang Cui,Lu Li,Xiaoxin Zou,Weitao Zheng,Xiao Zhao
标识
DOI:10.1002/anie.202400765
摘要
Metal single-atom catalysts represent one of the most promising non-noble metal catalysts for the oxygen reduction reaction (ORR). However, they still suffer from insufficient activity and, particularly, durability for practical applications. Leveraging density functional theory (DFT) and machine learning (ML), we unravel an unexpected collective effect between FeN
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