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DFT‑Guided Design and Fabrication of Carbon‑Nitride‑Based Materials for Energy Storage Devices:A Review 被引量:4
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作者 david adekoya Shangshu Qian +4 位作者 Xingxing Gu William Wen Dongsheng Li Jianmin Ma Shanqing Zhang 《Nano-Micro Letters》 SCIE EI CAS CSCD 2021年第1期245-288,共44页
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 t... 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. 展开更多
关键词 Carbon nitrides Metal-ion batteries Density functional theory g-C3N4 ANODE
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Cation-vacancy induced Li+ intercalation pseudocapacitance at atomically thin heterointerface for high capacity and high power lithium-ion batteries 被引量:2
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作者 Ding Yuan david adekoya +9 位作者 Yuhai Dou Yuhui Tian Hao Chen Zhenzhen Wu Jiadong Qin Linping Yu Jian Zhang Xianhu Liu Shi Xue Dou Shanqing Zhang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2021年第11期281-288,I0006,共9页
It is challenging to create cation vacancies in electrode materials for enhancing the performance of rechargeable lithium ion batteries (LIBs). Herein, we utilized a strong alkaline etching method to successfully crea... It is challenging to create cation vacancies in electrode materials for enhancing the performance of rechargeable lithium ion batteries (LIBs). Herein, we utilized a strong alkaline etching method to successfully create Co vacancies at the interface of atomically thin Co_(3−x)O_(4)/graphene@CNT heterostructure for high-energy/power lithium storage. The creation of Co-vacancies in the sample was confirmed by high-resolution scanning transmission electron microscope (HRSTEM), X-ray photoelectron spectroscopy (XPS) and electron energy loss near-edge structures (ELNES). The obtained Co_(3−x)O_(4)/graphene@CNT delivers an ultra-high capacity of 1688.2 mAh g^(−1) at 0.2 C, excellent rate capability of 83.7% capacity retention at 1 C, and an ultralong life up to 1500 cycles with a reversible capacity of 1066.3 mAh g^(−1). Reaction kinetic study suggests a significant contribution from pseudocapacitive storage induced by the Co-vacancies at the Co_(3−x)O_(4)/graphene@CNT interface. Density functional theory confirms that the Co-vacancies could dramatically enhance the Li adsorption and provide an additional pathway with a lower energy barrier for Li diffusion, which results in an intercalation pseudocapacitive behavior and high-capacity/rate energy storage. 展开更多
关键词 Cation vacancy Atomically thin Interface PSEUDOCAPACITANCE Lithium-ion batteries
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Corrigendum to“Cation-vacancy induced Li+intercalation pseudocapacitance at atomically thin heterointerface for high capacity and high power lithium-ion batteries”[J.Energy Chem.62(2021)281–288]
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作者 Ding Yuan david adekoya +9 位作者 Yuhai Dou Yuhui Tian Hao Chen Zhenzhen Wu Jiadong Qin Linping Yu Jian Zhang Xianhu Liu Shi Xue Dou Shanqing Zhang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2022年第8期655-656,共2页
The authors regret that the wrong image of Fig.1 was uploaded in the paper.The correct one should be:We confirm the discrepancy is restricted to the image of Fig.1 only,the underlying data is correct and unchanged.The... The authors regret that the wrong image of Fig.1 was uploaded in the paper.The correct one should be:We confirm the discrepancy is restricted to the image of Fig.1 only,the underlying data is correct and unchanged.The authors would like to apologise for any inconvenience caused. 展开更多
关键词 lithium capacitance unchanged
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Scaffold-regulation buffered MoS_(2)anode kinetics for high-performance Na-/K-ion storage 被引量:1
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作者 Tuzhi Xiong Xincheng Yao +2 位作者 david adekoya Hao Yang M-Sadeeq Balogun 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2023年第14期14-24,共11页
Designing a highly conductive scaffold with unique function has great significance in elevating the stor-age properties of molybdenum sulfide(MoS_(2))for sodium-and potassium-ion batteries.Herein,we show that forming ... Designing a highly conductive scaffold with unique function has great significance in elevating the stor-age properties of molybdenum sulfide(MoS_(2))for sodium-and potassium-ion batteries.Herein,we show that forming a three-dimensional(3D)highly conductive dual backbone that consists of titanium nitride nanowires(TiN)coated on 3D carbon fiber(CF)could suppress the poor conductivity of MoS_(2).Theo-retical calculations predict that both TiN and CF boost the electronic conductivity,while the MoS_(2)will promote high ionic adsorption owing to the suitable adsorption energy.The as-prepared CF@TiN/MoS_(2),with mass loading up to 12.5 mg cm^(−2),achieves a high areal capacity of up to 5.40 mAh cm^(−2)under the current density of 0.6 mA cm^(−2)for sodium storage.The excellent performance of the hybrid can be attributed to buffer and conductivity enhancer features,allowing Na-ion to directly have contact with the CF@TiN/MoS_(2)hybrid.A series of electrochemical analyses including cyclic voltammetry and symmetric cell analyses affirm the significant improvement in transport kinetics.More importantly,the CF@TiN/MoS_(2)also achieves a high areal capacity of 3.29 mAh cm^(−2)under the current density of 0.3 mA cm^(−2)as anode material for potassium ion batteries(PIBs),demonstrating that the scaffold-regulated strategy is a feasible strategy to enhance the kinetics of MoS_(2)-based anodes for secondary-ion batteries and beyond. 展开更多
关键词 MoS_(2)nanosheets Flexible conductive TiN nanowires KINETICS High areal capacity Sodium-and potassium-ion batteries
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