First Author:Shucheng Ren

Correspondence Author:Li Liu,Yang Yang

Co author:Fandi Meng,Yongli Liu,Yushi Xie,Hong-bin Sun,Haile Yan,Fuhui Wang

Title of Paper:Heteroatom-doped carbon attached to ultra-fine Fe-NiCoP as high-performance oxygen electrocatalyst for Zn-air batteries

Journal:Energy Storage Materials

Volume:65

Impact Factor:18.9

DOI Number:10.1016/j.ensm.2023.103086

Institution:Shenyang National Laboratory for Materials Science, Northeastern University

Teaching and Research Group:物理化学

Place of Publication:NETHERLANDS

Summary: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.

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

Document Code:WOS:001128195200001

Discipline:Natural Science

First-Level Discipline:Chemistry

Page Number:103086

ISSN:2405-8297

Translation or Not:No