Grain-refining Co0.85Se@CNT cathode catalyst with promoted Li2O2 growth kinetics for lithium-oxygen batteries

Ruonan Yang; Jiajia Li; Dongmei Zhang; Xiuqi Zhang; Xia Li; Han Yu; Zhanhu Guo; Chuanxin Hou; Gang Lian; Feng Dang

doi:10.1016/j.cclet.2024.109595

Grain-refining Co0.85Se@CNT cathode catalyst with promoted Li2O2 growth kinetics for lithium-oxygen batteries

Ruonan Yang, Jiajia Li, Dongmei Zhang, Xiuqi Zhang, Xia Li, Han Yu, Zhanhu Guo, Chuanxin Hou^*, Gang Lian^*, Feng Dang^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

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Abstract

Highly active cathode catalysts for efficient formation/decomposition of Li2O2 are essential for the performance improvement of lithium-oxygen batteries (LOBs). In this study, a grain-refining Co0.85Se catalyst with a lattice spacing of 2.69 Å of (101) plane closely matching with the (100) plane (2.72 Å) of Li2O2 was applied for high-performance LOBs. Highly (101) plane exposed Co0.85Se@CNT was synthesized by a simple one-pot hydrothermal method. The Co0.85Se with the lattice matching effect not only led to the efficient conversion and polarized growth of Li2O2, but also prevented the formation of byproducts. Density functional theory (DFT) calculations reveal that Co0.85Se (101) plane has the intrinsic catalytic ability to generate/decompose Li2O2 during ORR/OER process, due to its homogeneous electron distribution, suitable adsorption energy, and promoted Li2O2 growth kinetics. As a consequence, the (101) plane highly exposed Co0.85Se@CNT-80 electrode exhibited remarkable cycle stability over 2400h at 100 mA/g and 290 cycles at 500 mA/g, which is about 2 times longer than other electrodes.

Original language	English
Article number	109595
Journal	Chinese Chemical Letters
Volume	35
Issue number	12
Early online date	6 Feb 2024
DOIs	https://doi.org/10.1016/j.cclet.2024.109595
Publication status	Published - 1 Dec 2024

Keywords

Cathode catalysts
Co Se@CNT
DFT calculation
Grain-refiner
Lithium-oxygen batteries

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1016/j.cclet.2024.109595

1-s2.0-S1001841724001141-mainAccepted author manuscript, 1.68 MBLicence: CC BY-NC-ND

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@article{ce2896baa7d6421085635b9c4af111fd,

title = "Grain-refining Co0.85Se@CNT cathode catalyst with promoted Li2O2 growth kinetics for lithium-oxygen batteries",

abstract = "Highly active cathode catalysts for efficient formation/decomposition of Li2O2 are essential for the performance improvement of lithium-oxygen batteries (LOBs). In this study, a grain-refining Co0.85Se catalyst with a lattice spacing of 2.69 {\AA} of (101) plane closely matching with the (100) plane (2.72 {\AA}) of Li2O2 was applied for high-performance LOBs. Highly (101) plane exposed Co0.85Se@CNT was synthesized by a simple one-pot hydrothermal method. The Co0.85Se with the lattice matching effect not only led to the efficient conversion and polarized growth of Li2O2, but also prevented the formation of byproducts. Density functional theory (DFT) calculations reveal that Co0.85Se (101) plane has the intrinsic catalytic ability to generate/decompose Li2O2 during ORR/OER process, due to its homogeneous electron distribution, suitable adsorption energy, and promoted Li2O2 growth kinetics. As a consequence, the (101) plane highly exposed Co0.85Se@CNT-80 electrode exhibited remarkable cycle stability over 2400h at 100 mA/g and 290 cycles at 500 mA/g, which is about 2 times longer than other electrodes.",

keywords = "Cathode catalysts, Co Se@CNT, DFT calculation, Grain-refiner, Lithium-oxygen batteries",

author = "Ruonan Yang and Jiajia Li and Dongmei Zhang and Xiuqi Zhang and Xia Li and Han Yu and Zhanhu Guo and Chuanxin Hou and Gang Lian and Feng Dang",

note = "Funding information: This work was supported by National Natural Science Foundation of China (Nos. 52173286, 52207249), Major basic research project of Natural Science Foundation of Shandong Province (No. ZR2023ZD12), the State Key Laboratory of Marine Resource Utilization in South China Sea (Hainan University) (No. MRUKF2023013) and Open Program of Guangxi Key Laboratory of Information Materials (No. 221024-K).",

year = "2024",

month = dec,

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doi = "10.1016/j.cclet.2024.109595",

language = "English",

volume = "35",

journal = "Chinese Chemical Letters",

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TY - JOUR

T1 - Grain-refining Co0.85Se@CNT cathode catalyst with promoted Li2O2 growth kinetics for lithium-oxygen batteries

AU - Yang, Ruonan

AU - Li, Jiajia

AU - Zhang, Dongmei

AU - Zhang, Xiuqi

AU - Li, Xia

AU - Yu, Han

AU - Guo, Zhanhu

AU - Hou, Chuanxin

AU - Lian, Gang

AU - Dang, Feng

N1 - Funding information: This work was supported by National Natural Science Foundation of China (Nos. 52173286, 52207249), Major basic research project of Natural Science Foundation of Shandong Province (No. ZR2023ZD12), the State Key Laboratory of Marine Resource Utilization in South China Sea (Hainan University) (No. MRUKF2023013) and Open Program of Guangxi Key Laboratory of Information Materials (No. 221024-K).

PY - 2024/12/1

Y1 - 2024/12/1

N2 - Highly active cathode catalysts for efficient formation/decomposition of Li2O2 are essential for the performance improvement of lithium-oxygen batteries (LOBs). In this study, a grain-refining Co0.85Se catalyst with a lattice spacing of 2.69 Å of (101) plane closely matching with the (100) plane (2.72 Å) of Li2O2 was applied for high-performance LOBs. Highly (101) plane exposed Co0.85Se@CNT was synthesized by a simple one-pot hydrothermal method. The Co0.85Se with the lattice matching effect not only led to the efficient conversion and polarized growth of Li2O2, but also prevented the formation of byproducts. Density functional theory (DFT) calculations reveal that Co0.85Se (101) plane has the intrinsic catalytic ability to generate/decompose Li2O2 during ORR/OER process, due to its homogeneous electron distribution, suitable adsorption energy, and promoted Li2O2 growth kinetics. As a consequence, the (101) plane highly exposed Co0.85Se@CNT-80 electrode exhibited remarkable cycle stability over 2400h at 100 mA/g and 290 cycles at 500 mA/g, which is about 2 times longer than other electrodes.

AB - Highly active cathode catalysts for efficient formation/decomposition of Li2O2 are essential for the performance improvement of lithium-oxygen batteries (LOBs). In this study, a grain-refining Co0.85Se catalyst with a lattice spacing of 2.69 Å of (101) plane closely matching with the (100) plane (2.72 Å) of Li2O2 was applied for high-performance LOBs. Highly (101) plane exposed Co0.85Se@CNT was synthesized by a simple one-pot hydrothermal method. The Co0.85Se with the lattice matching effect not only led to the efficient conversion and polarized growth of Li2O2, but also prevented the formation of byproducts. Density functional theory (DFT) calculations reveal that Co0.85Se (101) plane has the intrinsic catalytic ability to generate/decompose Li2O2 during ORR/OER process, due to its homogeneous electron distribution, suitable adsorption energy, and promoted Li2O2 growth kinetics. As a consequence, the (101) plane highly exposed Co0.85Se@CNT-80 electrode exhibited remarkable cycle stability over 2400h at 100 mA/g and 290 cycles at 500 mA/g, which is about 2 times longer than other electrodes.

KW - Cathode catalysts

KW - Co Se@CNT

KW - DFT calculation

KW - Grain-refiner

KW - Lithium-oxygen batteries

UR - https://www.scopus.com/pages/publications/85197550826

U2 - 10.1016/j.cclet.2024.109595

DO - 10.1016/j.cclet.2024.109595

M3 - Article

SN - 1001-8417

VL - 35

JO - Chinese Chemical Letters

JF - Chinese Chemical Letters

IS - 12

M1 - 109595

ER -

Grain-refining Co0.85Se@CNT cathode catalyst with promoted Li2O2 growth kinetics for lithium-oxygen batteries

Abstract

Keywords

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