DFT-Guided Design and Fabrication of Carbon-Nitride-Based Materials for Energy Storage Devices: A Review
Abstract Carbon nitrides (including CN, C2N, C3N, C3N4, C4N, and C5N) are a unique family of nitrogen-rich carbon materials with multiple beneficial properties in crystalline structures, morphologies, and electronic configurations. In this review, we provide a comprehensive review on these materials...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
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SpringerOpen
2020-10-01
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| Series: | Nano-Micro Letters |
| Subjects: | |
| Online Access: | http://link.springer.com/article/10.1007/s40820-020-00522-1 |
| _version_ | 1818126315820154880 |
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| author | David Adekoya Shangshu Qian Xingxing Gu William Wen Dongsheng Li Jianmin Ma Shanqing Zhang |
| author_facet | David Adekoya Shangshu Qian Xingxing Gu William Wen Dongsheng Li Jianmin Ma Shanqing Zhang |
| author_sort | David Adekoya |
| collection | DOAJ |
| description | Abstract Carbon nitrides (including CN, C2N, C3N, C3N4, C4N, and C5N) are a unique family of nitrogen-rich carbon materials with multiple beneficial properties in crystalline structures, morphologies, and electronic configurations. In this review, we provide a comprehensive review on these materials properties, theoretical advantages, the synthesis and modification strategies of different carbon nitride-based materials (CNBMs) and their application in existing and emerging rechargeable battery systems, such as lithium-ion batteries, sodium and potassium-ion batteries, lithium sulfur batteries, lithium oxygen batteries, lithium metal batteries, zinc-ion batteries, and solid-state batteries. The central theme of this review is to apply the theoretical and computational design to guide the experimental synthesis of CNBMs for energy storage, i.e., facilitate the application of first-principle studies and density functional theory for electrode material design, synthesis, and characterization of different CNBMs for the aforementioned rechargeable batteries. At last, we conclude with the challenges, and prospects of CNBMs, and propose future perspectives and strategies for further advancement of CNBMs for rechargeable batteries. |
| first_indexed | 2024-12-11T06:59:31Z |
| format | Article |
| id | doaj.art-e5f7454f393545ea92f90696d7a0fe63 |
| institution | Directory Open Access Journal |
| issn | 2311-6706 2150-5551 |
| language | English |
| last_indexed | 2024-12-11T06:59:31Z |
| publishDate | 2020-10-01 |
| publisher | SpringerOpen |
| record_format | Article |
| series | Nano-Micro Letters |
| spelling | doaj.art-e5f7454f393545ea92f90696d7a0fe632022-12-22T01:16:40ZengSpringerOpenNano-Micro Letters2311-67062150-55512020-10-0113114410.1007/s40820-020-00522-1DFT-Guided Design and Fabrication of Carbon-Nitride-Based Materials for Energy Storage Devices: A ReviewDavid Adekoya0Shangshu Qian1Xingxing Gu2William Wen3Dongsheng Li4Jianmin Ma5Shanqing Zhang6Centre for Clean Environment and Energy, School of Environment and Science, Griffith UniversityCentre for Clean Environment and Energy, School of Environment and Science, Griffith UniversityCentre for Clean Environment and Energy, School of Environment and Science, Griffith UniversityCentre for Clean Environment and Energy, School of Environment and Science, Griffith UniversityCollege of Materials and Chemical Engineering, Key Laboratory of Inorganic Nonmetallic Crystalline and Energy Conversion Materials, China Three Gorges UniversityKey Laboratory of Materials Processing and Mold (Zhengzhou University), Ministry of EducationCentre for Clean Environment and Energy, School of Environment and Science, Griffith UniversityAbstract Carbon nitrides (including CN, C2N, C3N, C3N4, C4N, and C5N) are a unique family of nitrogen-rich carbon materials with multiple beneficial properties in crystalline structures, morphologies, and electronic configurations. In this review, we provide a comprehensive review on these materials properties, theoretical advantages, the synthesis and modification strategies of different carbon nitride-based materials (CNBMs) and their application in existing and emerging rechargeable battery systems, such as lithium-ion batteries, sodium and potassium-ion batteries, lithium sulfur batteries, lithium oxygen batteries, lithium metal batteries, zinc-ion batteries, and solid-state batteries. The central theme of this review is to apply the theoretical and computational design to guide the experimental synthesis of CNBMs for energy storage, i.e., facilitate the application of first-principle studies and density functional theory for electrode material design, synthesis, and characterization of different CNBMs for the aforementioned rechargeable batteries. At last, we conclude with the challenges, and prospects of CNBMs, and propose future perspectives and strategies for further advancement of CNBMs for rechargeable batteries.http://link.springer.com/article/10.1007/s40820-020-00522-1Carbon nitridesMetal-ion batteriesDensity functional theoryg-C3N4Anode |
| spellingShingle | David Adekoya Shangshu Qian Xingxing Gu William Wen Dongsheng Li Jianmin Ma Shanqing Zhang DFT-Guided Design and Fabrication of Carbon-Nitride-Based Materials for Energy Storage Devices: A Review Nano-Micro Letters Carbon nitrides Metal-ion batteries Density functional theory g-C3N4 Anode |
| title | DFT-Guided Design and Fabrication of Carbon-Nitride-Based Materials for Energy Storage Devices: A Review |
| title_full | DFT-Guided Design and Fabrication of Carbon-Nitride-Based Materials for Energy Storage Devices: A Review |
| title_fullStr | DFT-Guided Design and Fabrication of Carbon-Nitride-Based Materials for Energy Storage Devices: A Review |
| title_full_unstemmed | DFT-Guided Design and Fabrication of Carbon-Nitride-Based Materials for Energy Storage Devices: A Review |
| title_short | DFT-Guided Design and Fabrication of Carbon-Nitride-Based Materials for Energy Storage Devices: A Review |
| title_sort | dft guided design and fabrication of carbon nitride based materials for energy storage devices a review |
| topic | Carbon nitrides Metal-ion batteries Density functional theory g-C3N4 Anode |
| url | http://link.springer.com/article/10.1007/s40820-020-00522-1 |
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