Strengthening absorption ability of Co–N–C as efficient bifunctional oxygen catalyst by modulating the d band center using MoC
Co–N–C is a promising oxygen electrochemical catalyst due to its high stability and good durability. However, due to the limited adsorption ability improvement for oxygen-containing intermediates, it usually exhibits inadequate catalytic activity with 2-electron pathway and high selectivity of hydro...
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KeAi Communications Co., Ltd.
2023-04-01
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| Series: | Green Energy & Environment |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2468025721000960 |
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| author | Jianwen Liu Ying Guo Xian-Zhu Fu Jing-Li Luo Chunyi Zhi |
| author_facet | Jianwen Liu Ying Guo Xian-Zhu Fu Jing-Li Luo Chunyi Zhi |
| author_sort | Jianwen Liu |
| collection | DOAJ |
| description | Co–N–C is a promising oxygen electrochemical catalyst due to its high stability and good durability. However, due to the limited adsorption ability improvement for oxygen-containing intermediates, it usually exhibits inadequate catalytic activity with 2-electron pathway and high selectivity of hydrogen peroxide. Herein, the adsorption of Co–N–C to these intermediates is modulated by constructing heterostructures using transition metals and their derivatives based on d-band theory. The heterostructured nanobelts with MoC core and pomegranate-like carbon shell consisting of Co nanoparticles and N dopant (MoC/Co–N–C) are engineered to successfully modulate the d band center of active Co–N–C sites, resulting in a remarkably enhanced electrocatalysis performance. The optimally performing MoC/Co–N–C exhibits outstanding bi-catalytic activity and stability for the oxygen electrochemistry, featuring a high wave-half potential of 0.865 V for the oxygen reduction reaction (ORR) and low overpotential of 370 mV for the oxygen evolution reaction (OER) at 10 mA cm−2. The zinc air batteries with the MoC/Co–N–C catalyst demonstrate a large power density of 180 mW cm−2 and a long cycling lifespan (2000 cycles). The density functional theory calculations with Hubbard correction (DFT + U) reveal the electron transferring from Co to Mo atoms that effectively modulate the d band center of the active Co sites and achieve optimum adsorption ability with “single site double adsorption” mode. |
| first_indexed | 2024-04-09T23:39:02Z |
| format | Article |
| id | doaj.art-0c72e009be5a4997837522dec73f512b |
| institution | Directory Open Access Journal |
| issn | 2468-0257 |
| language | English |
| last_indexed | 2024-04-09T23:39:02Z |
| publishDate | 2023-04-01 |
| publisher | KeAi Communications Co., Ltd. |
| record_format | Article |
| series | Green Energy & Environment |
| spelling | doaj.art-0c72e009be5a4997837522dec73f512b2023-03-19T04:38:12ZengKeAi Communications Co., Ltd.Green Energy & Environment2468-02572023-04-0182459469Strengthening absorption ability of Co–N–C as efficient bifunctional oxygen catalyst by modulating the d band center using MoCJianwen Liu0Ying Guo1Xian-Zhu Fu2Jing-Li Luo3Chunyi Zhi4Shenzhen Key Laboratory of Polymer Science and Technology, Guangdong Research Center for Interfacial Engineering of Functional Materials, College of Materials Science and Engineering, Shenzhen University, 518060, ChinaShenzhen Key Laboratory of Polymer Science and Technology, Guangdong Research Center for Interfacial Engineering of Functional Materials, College of Materials Science and Engineering, Shenzhen University, 518060, China; Department of Materials Science and Engineering, City University of Hong Kong, 83 Tat Chee Avenue, Kowloon Tong, Hong Kong, ChinaShenzhen Key Laboratory of Polymer Science and Technology, Guangdong Research Center for Interfacial Engineering of Functional Materials, College of Materials Science and Engineering, Shenzhen University, 518060, ChinaShenzhen Key Laboratory of Polymer Science and Technology, Guangdong Research Center for Interfacial Engineering of Functional Materials, College of Materials Science and Engineering, Shenzhen University, 518060, China; Department of Chemical and Materials Engineering, University of Alberta, Edmonton, Alberta, T6G 1H9, Canada; Corresponding authors.Department of Materials Science and Engineering, City University of Hong Kong, 83 Tat Chee Avenue, Kowloon Tong, Hong Kong, China; Corresponding authors.Co–N–C is a promising oxygen electrochemical catalyst due to its high stability and good durability. However, due to the limited adsorption ability improvement for oxygen-containing intermediates, it usually exhibits inadequate catalytic activity with 2-electron pathway and high selectivity of hydrogen peroxide. Herein, the adsorption of Co–N–C to these intermediates is modulated by constructing heterostructures using transition metals and their derivatives based on d-band theory. The heterostructured nanobelts with MoC core and pomegranate-like carbon shell consisting of Co nanoparticles and N dopant (MoC/Co–N–C) are engineered to successfully modulate the d band center of active Co–N–C sites, resulting in a remarkably enhanced electrocatalysis performance. The optimally performing MoC/Co–N–C exhibits outstanding bi-catalytic activity and stability for the oxygen electrochemistry, featuring a high wave-half potential of 0.865 V for the oxygen reduction reaction (ORR) and low overpotential of 370 mV for the oxygen evolution reaction (OER) at 10 mA cm−2. The zinc air batteries with the MoC/Co–N–C catalyst demonstrate a large power density of 180 mW cm−2 and a long cycling lifespan (2000 cycles). The density functional theory calculations with Hubbard correction (DFT + U) reveal the electron transferring from Co to Mo atoms that effectively modulate the d band center of the active Co sites and achieve optimum adsorption ability with “single site double adsorption” mode.http://www.sciencedirect.com/science/article/pii/S2468025721000960Bifunctional oxygen catalystsPomegranate-like shellD band theoryEnhanced synergistic effectRechargeable zinc air battery |
| spellingShingle | Jianwen Liu Ying Guo Xian-Zhu Fu Jing-Li Luo Chunyi Zhi Strengthening absorption ability of Co–N–C as efficient bifunctional oxygen catalyst by modulating the d band center using MoC Green Energy & Environment Bifunctional oxygen catalysts Pomegranate-like shell D band theory Enhanced synergistic effect Rechargeable zinc air battery |
| title | Strengthening absorption ability of Co–N–C as efficient bifunctional oxygen catalyst by modulating the d band center using MoC |
| title_full | Strengthening absorption ability of Co–N–C as efficient bifunctional oxygen catalyst by modulating the d band center using MoC |
| title_fullStr | Strengthening absorption ability of Co–N–C as efficient bifunctional oxygen catalyst by modulating the d band center using MoC |
| title_full_unstemmed | Strengthening absorption ability of Co–N–C as efficient bifunctional oxygen catalyst by modulating the d band center using MoC |
| title_short | Strengthening absorption ability of Co–N–C as efficient bifunctional oxygen catalyst by modulating the d band center using MoC |
| title_sort | strengthening absorption ability of co n c as efficient bifunctional oxygen catalyst by modulating the d band center using moc |
| topic | Bifunctional oxygen catalysts Pomegranate-like shell D band theory Enhanced synergistic effect Rechargeable zinc air battery |
| url | http://www.sciencedirect.com/science/article/pii/S2468025721000960 |
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