DFT‑Guided Design and Fabrication of Carbon‑Nitride‑Based Materials for Energy Storage Devices:A Review

David Adekoya; Shangshu Qian; Xingxing Gu; William Wen; Dongsheng Li; Jianmin Ma; Shanqing Zhang

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DFT‑Guided Design and Fabrication of Carbon‑Nitride‑Based Materials for Energy Storage Devices:A Review

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摘要

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.

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《纳微快报：英文版》 |2021年第1期|P.245-288|共44页
作者
David Adekoya; Shangshu Qian; Xingxing Gu; William Wen; Dongsheng Li; Jianmin Ma; Shanqing Zhang;
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作者单位

Centre for Clean Environment and Energy School of Environment and Science Griffith University Gold Coast Campus Gold Coast QLD 4222 Australia;

Centre for Clean Environment and Energy School of Environment and Science Griffith University Gold Coast Campus Gold Coast QLD 4222 Australia;

Centre for Clean Environment and Energy School of Environment and Science Griffith University Gold Coast Campus Gold Coast QLD 4222 Australia;

Centre for Clean Environment and Energy School of Environment and Science Griffith University Gold Coast Campus Gold Coast QLD 4222 Australia;

College of Materials and Chemical Engineering Key Laboratory of Inorganic Nonmetallic Crystalline and Energy Conversion Materials China Three Gorges University Yichang 443002 People’s Republic of China;

Key Laboratory of Materials Processing and Mold(Zhengzhou University) Ministry of Education Zhengzhou People’s Republic of China;

Centre for Clean Environment and Energy School of Environment and Science Griffith University Gold Coast Campus Gold Coast QLD 4222 Australia;

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原文格式 PDF
正文语种 chi
中图分类 TM9;
关键词
Carbon nitrides; Metal-ion batteries; Density functional theory; g-C3N4; Anode;

机译：氮化碳;金属离子电池;密度泛函理论;g-C3N4;阳极;

DFT‑Guided Design and Fabrication of Carbon‑Nitride‑Based Materials for Energy Storage Devices:A Review

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