Boosting oxygen evolution of LiCoO2 electrocatalysts via lithium defect
The challenge of the complex oxygen evolution reaction (OER) currently impedes the efficient production of hydrogen via electrolytic water splitting. To address this issue, the development and improvement of effective electrocatalysts are required. LiCoO2, a key material in lithium-ion batteries, ha...
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| Format: | Article |
| Language: | English |
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Elsevier
2025-03-01
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| Series: | Materials Today Catalysis |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2949754X24000498 |
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| author | Huamei Li Mengyuan Li Lingling Liao Han Yang Kun Xiang Guoqiang Luo Mingjiang Xie |
| author_facet | Huamei Li Mengyuan Li Lingling Liao Han Yang Kun Xiang Guoqiang Luo Mingjiang Xie |
| author_sort | Huamei Li |
| collection | DOAJ |
| description | The challenge of the complex oxygen evolution reaction (OER) currently impedes the efficient production of hydrogen via electrolytic water splitting. To address this issue, the development and improvement of effective electrocatalysts are required. LiCoO2, a key material in lithium-ion batteries, has shown promising potential as an electrocatalyst for electrochemical energy conversion. However, OER catalysts derived from LiCoO2 have faced obstacles such as high overpotential and a complicated preparation process. In this study, the preparation method is adjusted to optimize the synthesis of Li1-xCoO2 with a defective structure, resulting in an impressive overpotential of only 290 mV at a current density of 100 mA cm−2 and a remarkable Tafel slope of 15.2 mV dec−1. The exceptional catalytic activity of Li1-xCoO2 can be attributed to the absence of Li, which triggers oxidative alterations in the electronic structure of Co. Density functional theory (DFT) calculations reveal that Li defects can influence the d-band center of active Co sites, enhancing the adsorption capabilities of Co sites towards *OOH intermediates and increasing the conductivity of the electrocatalyst during the OER process. These alterations improve the velocity of the crucial step in the reaction, ultimately boosting the catalyst's overall performance and efficiency. |
| format | Article |
| id | doaj-art-29afd810c2fa4fc697a2f8fdb74fa902 |
| institution | DOAJ |
| issn | 2949-754X |
| language | English |
| publishDate | 2025-03-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Materials Today Catalysis |
| spelling | doaj-art-29afd810c2fa4fc697a2f8fdb74fa9022025-08-20T02:56:33ZengElsevierMaterials Today Catalysis2949-754X2025-03-01810008710.1016/j.mtcata.2024.100087Boosting oxygen evolution of LiCoO2 electrocatalysts via lithium defectHuamei Li0Mengyuan Li1Lingling Liao2Han Yang3Kun Xiang4Guoqiang Luo5Mingjiang Xie6School of Chemistry and Environmental Engineering, Engineering Research Center of Phosphorus, Resources Development and Utilization of Ministry of Education, Wuhan Institute of Technology, Wuhan 430205, ChinaSchool of Chemistry and Environmental Engineering, Engineering Research Center of Phosphorus, Resources Development and Utilization of Ministry of Education, Wuhan Institute of Technology, Wuhan 430205, ChinaSchool of Chemistry and Environmental Engineering, Engineering Research Center of Phosphorus, Resources Development and Utilization of Ministry of Education, Wuhan Institute of Technology, Wuhan 430205, ChinaSchool of Chemistry and Environmental Engineering, Engineering Research Center of Phosphorus, Resources Development and Utilization of Ministry of Education, Wuhan Institute of Technology, Wuhan 430205, ChinaSchool of Chemistry and Environmental Engineering, Engineering Research Center of Phosphorus, Resources Development and Utilization of Ministry of Education, Wuhan Institute of Technology, Wuhan 430205, China; Corresponding authors.State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, China; Corresponding authors.Hubei Key Lab for Processing and Application of Catalytic Materials, College of Chemical Engineering, Huanggang Normal University, Huanggang 438000, China; Corresponding authors.The challenge of the complex oxygen evolution reaction (OER) currently impedes the efficient production of hydrogen via electrolytic water splitting. To address this issue, the development and improvement of effective electrocatalysts are required. LiCoO2, a key material in lithium-ion batteries, has shown promising potential as an electrocatalyst for electrochemical energy conversion. However, OER catalysts derived from LiCoO2 have faced obstacles such as high overpotential and a complicated preparation process. In this study, the preparation method is adjusted to optimize the synthesis of Li1-xCoO2 with a defective structure, resulting in an impressive overpotential of only 290 mV at a current density of 100 mA cm−2 and a remarkable Tafel slope of 15.2 mV dec−1. The exceptional catalytic activity of Li1-xCoO2 can be attributed to the absence of Li, which triggers oxidative alterations in the electronic structure of Co. Density functional theory (DFT) calculations reveal that Li defects can influence the d-band center of active Co sites, enhancing the adsorption capabilities of Co sites towards *OOH intermediates and increasing the conductivity of the electrocatalyst during the OER process. These alterations improve the velocity of the crucial step in the reaction, ultimately boosting the catalyst's overall performance and efficiency.http://www.sciencedirect.com/science/article/pii/S2949754X24000498Lithium defectLiCoO2OERD-band center |
| spellingShingle | Huamei Li Mengyuan Li Lingling Liao Han Yang Kun Xiang Guoqiang Luo Mingjiang Xie Boosting oxygen evolution of LiCoO2 electrocatalysts via lithium defect Materials Today Catalysis Lithium defect LiCoO2 OER D-band center |
| title | Boosting oxygen evolution of LiCoO2 electrocatalysts via lithium defect |
| title_full | Boosting oxygen evolution of LiCoO2 electrocatalysts via lithium defect |
| title_fullStr | Boosting oxygen evolution of LiCoO2 electrocatalysts via lithium defect |
| title_full_unstemmed | Boosting oxygen evolution of LiCoO2 electrocatalysts via lithium defect |
| title_short | Boosting oxygen evolution of LiCoO2 electrocatalysts via lithium defect |
| title_sort | boosting oxygen evolution of licoo2 electrocatalysts via lithium defect |
| topic | Lithium defect LiCoO2 OER D-band center |
| url | http://www.sciencedirect.com/science/article/pii/S2949754X24000498 |
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