Improved Cycling Performance of Li-Excess Cation-Disordered Cathode Materials upon Fluorine Substitution

Lun Zhengyan; Ouyang Bin; Kitchaev Daniil A.; Clement Raphaele J.; Papp Joseph K.; Balasubramanian Mahalingam; Tian Yaosen; Lei Teng; Shi Tan; McCloskey Bryan D.; Lee Jinhyuk; Ceder Gerbrand

首页> 外文期刊>Advanced energy materials >Improved Cycling Performance of Li-Excess Cation-Disordered Cathode Materials upon Fluorine Substitution

【24h】

Improved Cycling Performance of Li-Excess Cation-Disordered Cathode Materials upon Fluorine Substitution

机译：改善氟代液取代时锂过量阳离子无序阴极材料的循环性能

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

The recent discovery of Li-excess cation-disordered rock salt cathodes has greatly enlarged the design space of Li-ion cathode materials. Evidence of facile lattice fluorine substitution for oxygen has further provided an important strategy to enhance the cycling performance of this class of materials. Here, a group of Mn3+-Nb5+-based cation-disordered oxyfluorides, Li1.2Mn0.6+0.5x3+Nb0.2-0.5x5+O2-xFx (x = 0, 0.05, 0.1, 0.15, 0.2) is investigated and it is found that fluorination improves capacity retention in a very significant way. Combining spectroscopic methods and ab initio calculations, it is demonstrated that the increased transition-metal redox (Mn3+/Mn4+) capacity that can be accommodated upon fluorination reduces reliance on oxygen redox and leads to less oxygen loss, as evidenced by differential electrochemical mass spectroscopy measurements. Furthermore, it is found that fluorine substitution also decreases the Mn3+-induced Jahn-Teller distortion, leading to an orbital rearrangement that further increases the contribution of Mn-redox capacity to the overall capacity.

机译：最近的锂过剩阳离子无序岩盐阴极的发现极大地扩大了锂离子阴极材料的设计空间。用于氧气的容易晶格氟取代的证据进一步提供了增强这类材料的循环性能的重要策略。在此，研究了一组Mn3 + -NB5 +基于阳离子无序氧化氧化物Li1.2Mn0.6 + 0.5×5 + NB0.2-0.5x5 + O2-XFx（x = 0,0.05,0.1,0.15,0.2）发现氟化以非常显着的方式提高了能力保留。结合光谱法和AB初始计算，证明可以在氟化时容纳的增加的过渡金属氧化还原（MN3 + / MN4 +）容量减少对氧氧化还原的依赖性，并导致较少的氧损失，如差动电化学质谱测量所证明。此外，发现氟取代也降低了Mn3 +诱导的Jahn-Talker畸变，导致轨道重排，进一步提高了Mn-Redox能力对整体能力的贡献。

著录项

来源
《Advanced energy materials》 |2019年第2期|1802959.1-1802959.11|共11页
作者
Lun Zhengyan; Ouyang Bin; Kitchaev Daniil A.; Clement Raphaele J.; Papp Joseph K.; Balasubramanian Mahalingam; Tian Yaosen; Lei Teng; Shi Tan; McCloskey Bryan D.; Lee Jinhyuk; Ceder Gerbrand;
展开▼
作者单位

LBNL Mat Sci Div Berkeley CA 94720 USA;

LBNL Mat Sci Div Berkeley CA 94720 USA|Univ Calif Berkeley Dept Mat Sci & Engn Berkeley CA 94720 USA;

Univ Calif Berkeley Dept Mat Sci & Engn Berkeley CA 94720 USA|MIT Dept Mat Sci & Engn Cambridge MA 02139 USA;

Univ Calif Berkeley Dept Mat Sci & Engn Berkeley CA 94720 USA|Univ Calif Santa Barbara Mat Dept Santa Barbara CA 93106 USA;

Univ Calif Berkeley Dept Chem & Biomol Engn Berkeley CA 94720 USA;

Univ Calif Berkeley Dept Mat Sci & Engn Berkeley CA 94720 USA|Argonne Natl Lab Adv Photon Source Xray Sci Div Argonne IL 60439 USA;

LBNL Mat Sci Div Berkeley CA 94720 USA;

Univ Calif Berkeley Dept Chem Berkeley CA 94720 USA;

LBNL Mat Sci Div Berkeley CA 94720 USA;

Univ Calif Berkeley Dept Mat Sci & Engn Berkeley CA 94720 USA|Univ Calif Berkeley Dept Chem & Biomol Engn Berkeley CA 94720 USA|LBNL Energy Storage & Distributed Resources Div Berkeley CA 94720 USA;

Univ Calif Berkeley Dept Mat Sci & Engn Berkeley CA 94720 USA|MIT Dept Nucl Sci & Engn 77 Massachusetts Ave Cambridge MA 02139 USA;

LBNL Mat Sci Div Berkeley CA 94720 USA;

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类
关键词
cyclability; DFT; fluorination; Jahn-Teller distortion; Li-excess cation-disordered cathodes;

机译：可行性;DFT;氟化;JAHN-TEELER畸变;锂过剩阳离子无序阴极;

相似文献

外文文献
中文文献
专利

1. Improved Cycling Performance of Li-Excess Cation-Disordered Cathode Materials upon Fluorine Substitution [J] . Lun Zhengyan, Ouyang Bin, Kitchaev Daniil A., Advanced energy materials . 2019,第2期

机译：氟取代后锂过量阳离子无序阴极材料的循环性能提高
2. Effects of fluorine substitution on the electrochemical performance of layered Li-excess nickel manganese oxides cathode materials for lithium-ion batteries [J] . Hongxiao Li, Li-Zhen Fan Electrochimica Acta . 2013,第Null期

机译：氟取代对锂离子电池层状锂过量镍锰氧化物正极材料电化学性能的影响
3. Improving the cycling performance of LiNi0.8Co0.15Al0.05O2 cathode materials via zirconium and fluorine co-substitution [J] . Qiu Zhenping, Liu Zheng, Fu Xingjie, Journal of Alloys and Compounds: An Interdisciplinary Journal of Materials Science and Solid-state Chemistry and Physics . 2019,第期

机译：通过锆和氟共取代改善LINI0.8CO0.15A10.05O2阴极材料的循环性能
4. Anion Reactivity in Cation-Disordered Rocksalt Cathode Materials: The Influence of Fluorine Substitution [C] . Matthew Crafton, Yuan Yue, Wei Tong, Pacific Rim Meeting on Electrochemical and Solid-State Science . 2020

机译：阳离子无序岩石阴极材料中的阴离子反应性：氟取代的影响
5. Studies in materials chemistry: I. Fluorine substitution in tetrathiafulvalenes and macrocycles. II. A new 1,2-dithiolene complex as a precursor to conductive materials. [D] . Knight, Brian William. 1993

机译：材料化学研究：I.四硫富瓦烯和大环中的氟取代。二。一种新型的1,2-二硫代苯胺络合物，可作为导电材料的前体。
6. Mitigating oxygen loss to improve the cycling performance of high capacity cation-disordered cathode materials [O] . Jinhyuk Lee, Joseph K. Papp, Raphaële J. Clément, -1

机译：减轻氧气损失提高高容量阳离子无序阴极材料的循环性能
7. Improved Cycling Performance of Li‐Excess Cation‐Disordered Cathode Materials upon Fluorine Substitution [O] . Zhengyan Lun, Bin Ouyang, Daniil A. Kitchaev, 2018

机译：改善氟代液取代时锂过量阳离子无序阴极材料的循环性能

Improved Cycling Performance of Li-Excess Cation-Disordered Cathode Materials upon Fluorine Substitution

摘要

著录项

相似文献

相关主题

期刊订阅