MnO2伪电容增强Zn-Co氧化阳极储能机理研究

IF 5.3 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Research Bulletin Pub Date : 2025-04-30 DOI:10.1016/j.materresbull.2025.113510

Guoxu Zheng , Haibin Wu , Xinzhe Huang , Minqiang Xu , Liwei Mao , Qian Zhang , Zhuo Yuan , Zhiwei Liu , Hongwei Wu , Fujun He , Mingxin Song

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引用次数: 0

摘要

本文采用简单的二次水热法在NF上生长了花状ZnCo2O4/MnO2异质结。ZnCo2O4/MnO2/NF作为锂离子电池的阳极具有良好的性能，其初始放电容量可达1,586.9 mAh g-1，在200次充放电循环后仍保持980 mAh g-1的放电容量。利用密度泛函理论（DFT）框架下的GGA-PBE交换关联函数确定了带隙，计算结果表明，ZnCo2O4/MnO2复合材料的带隙减小到0.607 eV。ZnCo2O4/MnO2/NF的制备有助于有效克服Zn-Co氧化阳极的缺点，并通过DFT计算量化了非均相结构所带来的性能提升。

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Study on the energy storage mechanism of MnO2 pseudocapacitance-enhanced Zn-Co oxide anode

In this paper, flower-like ZnCo₂O₄/MnO₂ heterojunctions were grown on NF using a simple secondary hydrothermal method. ZnCo₂O₄/MnO₂/NF exhibited good performance when used as anode for LIBs, which had an initial discharge capacity of up to 1,586.9 mAh g^-1, and even maintained a discharge capacity of 980 mAh g^-1 after 200 charge/discharge cycles. The band gaps were determined using the GGA-PBE exchange associative functions within the density functional theory (DFT) framework, the calculated results show that the band gap of the ZnCo₂O₄/MnO₂ composite is reduced to 0.607 eV. The preparation of ZnCo₂O₄/MnO₂/NF helped to effectively overcome the drawbacks of Zn-Co oxide anode, and improved performance achieved by heterogeneous structure was quantified by DFT calculations.

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来源期刊

Materials Research Bulletin 工程技术-材料科学：综合

CiteScore

9.80

自引率

5.60%

发文量

372

审稿时长

42 days

期刊介绍： Materials Research Bulletin is an international journal reporting high-impact research on processing-structure-property relationships in functional materials and nanomaterials with interesting electronic, magnetic, optical, thermal, mechanical or catalytic properties. Papers purely on thermodynamics or theoretical calculations (e.g., density functional theory) do not fall within the scope of the journal unless they also demonstrate a clear link to physical properties. Topics covered include functional materials (e.g., dielectrics, pyroelectrics, piezoelectrics, ferroelectrics, relaxors, thermoelectrics, etc.); electrochemistry and solid-state ionics (e.g., photovoltaics, batteries, sensors, and fuel cells); nanomaterials, graphene, and nanocomposites; luminescence and photocatalysis; crystal-structure and defect-structure analysis; novel electronics; non-crystalline solids; flexible electronics; protein-material interactions; and polymeric ion-exchange membranes.