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Rapid preparation of a Fe coordination structure adjustable ORR catalyst using microwaves with a half-wave potential above 0.9 V
Inorganic Chemistry Frontiers ( IF 6.1 ) Pub Date : 2024-07-15 , DOI: 10.1039/d4qi00952e Qingtao Wang 1 , Xia Hu 1 , Kai Cui 2 , Yanxia Wu 1 , Guofu Ma 1 , Ziqiang Lei 1 , Shufang Ren 3
Inorganic Chemistry Frontiers ( IF 6.1 ) Pub Date : 2024-07-15 , DOI: 10.1039/d4qi00952e Qingtao Wang 1 , Xia Hu 1 , Kai Cui 2 , Yanxia Wu 1 , Guofu Ma 1 , Ziqiang Lei 1 , Shufang Ren 3
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An oxygen reduction reaction (ORR) catalyst is a crucial component of metal–air batteries. Herein, modified carbon nanotubes are used to support iron phthalocyanine, followed by the fabrication of single-atom and cluster coexisting catalysts by the fast microwave method. The two catalysts have Fe–N5 and Fe–P–N4 coordination structures, respectively. Electrochemical tests show that the FeNC/Fe–N5–C and FeNC/Fe–P–N4–C catalysts have half-wave potentials of 0.906 and 0.886 V in an alkaline solvent, respectively. The Zn–air battery prepared with the FeNC/Fe–N5–C catalyst has a specific capacity of 791 mA h g−1 and a maximum power density of 190 mW cm−2. DFT calculations show that the axial coordination bonds in FeNC/Fe–N5–C and FeNC/Fe–P–N4–C are conducive to the acceleration of the transfer of electrons. The d-band centers of the axial coordination Fe–N5 and Fe–P–N4 are closer to the Fermi level, confirming that the presence of the axial coordination bonds enhances the adsorption of the reaction intermediates and reduces the ORR barriers.
中文翻译：
使用半波电位高于0.9 V的微波快速制备Fe配位结构可调ORR催化剂
氧还原反应（ORR）催化剂是金属空气电池的重要组成部分。本文采用改性碳纳米管负载铁酞菁，然后通过快速微波方法制备单原子和簇共存催化剂。两种催化剂分别具有Fe-N 5 和Fe-P-N 4 配位结构。电化学测试表明，Fe NC /Fe–N 5 -C 和 Fe NC /Fe–P–N 4 -C催化剂在碱性溶剂中的半波电位分别为0.906和0.886 V。采用Fe NC /Fe–N 5 -C催化剂制备的锌空气电池比容量为791 mA h g −1 ，最大功率密度190 mW cm −2 。 DFT计算表明Fe NC /Fe–N 5 -C和Fe NC /Fe–P–N 4 和Fe-P-N 4 的d带中心更接近费米能级，证实轴向配位键的存在增强了吸附反应中间体并降低ORR势垒。
更新日期：2024-07-15
中文翻译：
使用半波电位高于0.9 V的微波快速制备Fe配位结构可调ORR催化剂
氧还原反应（ORR）催化剂是金属空气电池的重要组成部分。本文采用改性碳纳米管负载铁酞菁，然后通过快速微波方法制备单原子和簇共存催化剂。两种催化剂分别具有Fe-N 5 和Fe-P-N 4 配位结构。电化学测试表明，Fe NC /Fe–N 5 -C 和 Fe NC /Fe–P–N 4 -C催化剂在碱性溶剂中的半波电位分别为0.906和0.886 V。采用Fe NC /Fe–N 5 -C催化剂制备的锌空气电池比容量为791 mA h g −1 ，最大功率密度190 mW cm −2 。 DFT计算表明Fe NC /Fe–N 5 -C和Fe NC /Fe–P–N 4 和Fe-P-N 4 的d带中心更接近费米能级，证实轴向配位键的存在增强了吸附反应中间体并降低ORR势垒。
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