电催化剂
催化作用
电池(电)
阴极
材料科学
磁矩
纳米复合材料
碳纤维
金属
密度泛函理论
化学
无机化学
凝聚态物理
纳米技术
电极
物理化学
计算化学
冶金
电化学
复合数
复合材料
物理
功率(物理)
量子力学
生物化学
作者
Ting He,Yang Chen,Qiming Liu,Bingzhang Lu,Xianwen Song,Hongtao Liu,Min Liu,You‐Nian Liu,Yi Zhang,Xiaoping Ouyang,Shaowei Chen
标识
DOI:10.1002/anie.202201007
摘要
Iron, nitrogen-codoped carbon (Fe-N-C) nanocomposites have emerged as viable electrocatalysts for the oxygen reduction reaction (ORR) due to the formation of FeNx Cy coordination moieties. In this study, results from first-principles calculations show a nearly linear correlation of the energy barriers of key reaction steps with the Fe magnetic moment. Experimentally, when single Cu sites are incorporated into Fe-N-C aerogels (denoted as NCAG/Fe-Cu), the Fe centers exhibit a reduced magnetic moment and markedly enhanced ORR activity within a wide pH range of 0-14. With the NCAG/Fe-Cu nanocomposites used as the cathode catalyst in a neutral/quasi-solid aluminum-air and alkaline/quasi-solid zinc-air battery, both achieve a remarkable performance with an ultrahigh open-circuit voltage of 2.00 and 1.51 V, large power density of 130 and 186 mW cm-2 , and good mechanical flexibility, all markedly better than those with commercial Pt/C or Pt/C-RuO2 catalysts at the cathode.
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