Insights into the Na+ Storage Mechanism of Phosphorus- Functionalized Hard Carbon as Ultrahigh Capacity Anodes

Li Yu; Yuan Yifei; Bai Ying; Liu Yuanchang; Wang Zhaohua; Li Limin; Wu Feng; Amine Khalil; Wu Chuan; Lu Jun

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Insights into the Na+ Storage Mechanism of Phosphorus- Functionalized Hard Carbon as Ultrahigh Capacity Anodes

机译：深入了解磷功能化硬碳作为超高容量阳极的Na +储存机理

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Hard carbon as a typical anode material for sodium ion batteries has received much attention in terms of its low cost and renewability. Herein, phosphorus-functionalized hard carbon with a specific honeycomb briquette shaped morphology is synthesized via electrospinning technology. When applied as an anode material for Na+ storage, it exhibits an impressively high reversible capacity of 393.4 mA h g(-1) with the capacity retention up to 98.2% after 100 cycles. According to first-principle calculation, the ultrahigh capacity of the as-prepared anode is ascribed to the enhancement of Na-absorption through formation of P=O and P-C bonds in graphitic layers when doped with phosphorus. Moreover, the increase of electron density around the Fermi level is found to be mainly caused by O atoms instead of P atoms.

机译：硬碳作为钠离子电池的典型负极材料，因其低成本和可再生性而备受关注。在此，通过静电纺丝技术合成了具有蜂窝状团块状形态的磷官能化硬碳。当用作Na +存储的阳极材料时，它表现出令人印象深刻的393.4 mA h g（-1）的高可逆容量，在100次循环后容量保持率高达98.2％。根据第一性原理计算，所制备的阳极的超高容量归因于当掺杂磷时通过在石墨层中形成P = O和P-C键来增强Na吸收。此外，发现费米能级附近的电子密度增加主要是由O原子而不是P原子引起的。

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来源
《Advanced energy materials》 |2018年第18期|1702781.1-1702781.7|共7页
作者
Li Yu; Yuan Yifei; Bai Ying; Liu Yuanchang; Wang Zhaohua; Li Limin; Wu Feng; Amine Khalil; Wu Chuan; Lu Jun;
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Beijing Inst Technol, Beijing Key Lab Environm Sci & Engn, Sch Mat Sci & Engn, Beijing 100081, Peoples R China;

Argonne Natl Lab, Chem Sci & Engn Div, 9700 South Cass Ave, Argonne, IL 60439 USA;

Beijing Inst Technol, Beijing Key Lab Environm Sci & Engn, Sch Mat Sci & Engn, Beijing 100081, Peoples R China;

Beijing Inst Technol, Beijing Key Lab Environm Sci & Engn, Sch Mat Sci & Engn, Beijing 100081, Peoples R China;

Beijing Inst Technol, Beijing Key Lab Environm Sci & Engn, Sch Mat Sci & Engn, Beijing 100081, Peoples R China;

Beijing Inst Technol, Beijing Key Lab Environm Sci & Engn, Sch Mat Sci & Engn, Beijing 100081, Peoples R China;

Beijing Inst Technol, Beijing Key Lab Environm Sci & Engn, Sch Mat Sci & Engn, Beijing 100081, Peoples R China;

Argonne Natl Lab, Chem Sci & Engn Div, 9700 South Cass Ave, Argonne, IL 60439 USA;

Beijing Inst Technol, Beijing Key Lab Environm Sci & Engn, Sch Mat Sci & Engn, Beijing 100081, Peoples R China;

Argonne Natl Lab, Chem Sci & Engn Div, 9700 South Cass Ave, Argonne, IL 60439 USA;

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正文语种 eng
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关键词
first-principle calculations; hard carbon; phosphorous-functionalization; sodium ion batteries; ultrahigh capacity;

机译：第一性原理计算硬碳磷官能化钠离子电池超高容量;

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7. Insights into the Na + Storage Mechanism of Phosphorus‐Functionalized Hard Carbon as Ultrahigh Capacity Anodes [O] . Yu Li, Yifei Yuan, Ying Bai, 2018

机译：作为超高容量阳极的磷官能化硬碳的Na +储存机制的见解

Insights into the Na+ Storage Mechanism of Phosphorus- Functionalized Hard Carbon as Ultrahigh Capacity Anodes

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