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Boron Doping and LiBO2 Coating Synergistically Enhance the High-Rate Performance of LiNi0.6Co0.1Mn0.3O2 Cathode Materials
ACS Sustainable Chemistry & Engineering ( IF 7.1 ) Pub Date : 2021-04-03 , DOI: 10.1021/acssuschemeng.0c09265
Shan Gao 1 , Baozhao Shi 1 , Jing Liu 1 , Lijuan Wang 2 , Chaoyi Zhou 2 , Cuili Guo 1 , Jinli Zhang 1, 3 , Wei Li 1
ACS Sustainable Chemistry & Engineering ( IF 7.1 ) Pub Date : 2021-04-03 , DOI: 10.1021/acssuschemeng.0c09265
Shan Gao 1 , Baozhao Shi 1 , Jing Liu 1 , Lijuan Wang 2 , Chaoyi Zhou 2 , Cuili Guo 1 , Jinli Zhang 1, 3 , Wei Li 1
Affiliation
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The nickel-rich cathode LiNi0.6Co0.1Mn0.3O2 (NCM613) is a promising cathode material but has poor cycle stability, especially at a high cutoff voltage. Aiming at modulating the unit cell parameters via heteroatom dopants while providing a lithium-ion conductor coating, in this work, boron-based-modified NCM613 has been synthesized with both LiBO2 coating and boron doping via a solid-state method. The optimal modified sample LBO-0.4 exhibits excellent cycle stability at room temperature (2.8–4.5 V) with a retention of 94.8% at 1 C after 100 cycles (versus 79.7% of the pristine sample LBO-0) and 70.7% at 5 C after 1000 cycles (versus a retention lower than 1% for LBO-0). The DLi+ values of LBO-0.4 are significantly higher than those of LBO-0, which is attributed to the enlarged crystal lattice volume generated by the incorporation of B3+ into NCM613. Combined with characterization by Ar sputtering-assisted XPS, TEM, XRD, etc., it is illustrated that LiBO2 coating and B3+ doping can synergistically enhance the electrochemical performance of the NCM613 at a high cutoff voltage, high temperature, and high rate. In addition, DFT calculations disclose that the boron dopant is preferential to locate in the interstice among three Ni atoms of the TM–O layer of NCM, which facilitates the formation of more amount Ni2+, leading to the improved electrochemical performance of NCM613. Such ion doping and surface coating strategy can provide useful guidance on the modification of other layered oxide cathode materials.
中文翻译:
硼掺杂和LiBO 2涂层协同增强了LiNi 0.6 Co 0.1 Mn 0.3 O 2阴极材料的高倍率性能
富镍阴极LiNi 0.6 Co 0.1 Mn 0.3 O 2(NCM613)是一种很有前途的阴极材料,但循环稳定性较差,尤其是在高截止电压下。为了在提供锂离子导体涂层的同时通过杂原子掺杂剂调节晶胞参数,在这项工作中,已经合成了具有LiBO 2涂层和通过固态方法掺硼的硼基改性NCM613 。最佳的改性样品LBO-0.4在室温(2.8–4.5 V)下表现出优异的循环稳定性,在100个循环后(在原始样品LBO-0中为79.7%)在1 C下保留为94.8%,在5 C下则为70.7%。 1000个周期后(而LBO-0的保留率低于1%)。该d李LBO-0.4的+值明显高于LBO-0的+值,这归因于B 3+掺入NCM613中所产生的增大的晶格体积。结合Ar溅射辅助XPS,TEM,XRD等的表征,表明LiBO 2涂层和B 3+掺杂可以在高截止电压,高温和高速率下协同增强NCM613的电化学性能。 。此外,DFT计算表明,硼掺杂剂优先位于NCM TM-O层的三个Ni原子之间的空隙中,这有助于形成更多的Ni 2+,从而改善了NCM613的电化学性能。这种离子掺杂和表面涂覆策略可以为其他层状氧化物阴极材料的改性提供有用的指导。
更新日期:2021-04-19
中文翻译:
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硼掺杂和LiBO 2涂层协同增强了LiNi 0.6 Co 0.1 Mn 0.3 O 2阴极材料的高倍率性能
富镍阴极LiNi 0.6 Co 0.1 Mn 0.3 O 2(NCM613)是一种很有前途的阴极材料,但循环稳定性较差,尤其是在高截止电压下。为了在提供锂离子导体涂层的同时通过杂原子掺杂剂调节晶胞参数,在这项工作中,已经合成了具有LiBO 2涂层和通过固态方法掺硼的硼基改性NCM613 。最佳的改性样品LBO-0.4在室温(2.8–4.5 V)下表现出优异的循环稳定性,在100个循环后(在原始样品LBO-0中为79.7%)在1 C下保留为94.8%,在5 C下则为70.7%。 1000个周期后(而LBO-0的保留率低于1%)。该d李LBO-0.4的+值明显高于LBO-0的+值,这归因于B 3+掺入NCM613中所产生的增大的晶格体积。结合Ar溅射辅助XPS,TEM,XRD等的表征,表明LiBO 2涂层和B 3+掺杂可以在高截止电压,高温和高速率下协同增强NCM613的电化学性能。 。此外,DFT计算表明,硼掺杂剂优先位于NCM TM-O层的三个Ni原子之间的空隙中,这有助于形成更多的Ni 2+,从而改善了NCM613的电化学性能。这种离子掺杂和表面涂覆策略可以为其他层状氧化物阴极材料的改性提供有用的指导。