第一作者：Shucheng Ren

通讯作者：Li Liu,Yang Yang

合写作者：Fandi Meng,Yongli Liu,Yushi Xie,Hong-bin Sun,Haile Yan,Fuhui Wang

发表刊物：Energy Storage Materials

卷号：65

影响因子：18.9

DOI码：10.1016/j.ensm.2023.103086

所属单位：Shenyang National Laboratory for Materials Science, Northeastern University

教研室：物理化学

刊物所在地：NETHERLANDS

摘要：The construction of efficient and durable electrocatalysts for the oxygen reduction reaction (ORR) and the ox ygen evolution reaction (OER) remains a challenge for rechargeable Zn-air batteries (ZABs). Bimetallic phos phide (NiCoP) holds considerable promise as a bifunctional catalyst. Here, an efficient NiCoP-based bifunctional electrocatalyst was fabricated using PCN-222-assembled organophosphorus complexes, specifically 1,1-bis (diphenylphosphine)ferrocene (DPPF). These DPPF complexes serve as sources of phosphorus and metals, un dergoing in-situ conversion into Fe-doped NiCoP nanoparticles (Fe-NiCoP) while simultaneously constructing a heteroatom-doped carbon matrix (NPC). The final catalytic structure, composed of ultra-fine Fe-NiCoP nano particles confined within the NPC, exhibits superior bifunctional electrocatalytic activity (with a ΔE gap of 0.69 V between OER and ORR) and exceptional stability. In-situ Raman spectroscopy and DFT calculations reveal that the high performance arises from the synergistic effect of Fe-NiCoP and NPC, where Fe-NiCoP triggers the cat alytic activity of the attached NPC. The calculated active site is identified as the C atom near the N atom on the NPC, lowering the potential barrier for O-containing intermediate compounds and enhancing the catalytic performance. In addition, NPC protects the Fe-NiCoP core from oxidation during battery cycles, allowing ZABs equipped with this catalyst to achieve high power density and long-term cycling performance.

关键字：Fe-doped NiCoP;Heteroatom-doped carbon;Organophosphorus complexes;Bifunctional electrocatalysts;Zn–air battery;DFT calculation

论文编号：WOS:001128195200001

学科门类：理学

一级学科：化学

页面范围：103086

ISSN号：2405-8297

是否译文：否