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A Three in One Strategy to Achieve Zirconium Doping, Boron Doping, and Interfacial Coating for Stable LiNi0.8Co0.1Mn0.1O2 Cathode
Advanced Science ( IF 14.3 ) Pub Date : 2020-11-27 , DOI: 10.1002/advs.202001809 Ze Feng 1 , Ranjusha Rajagopalan 1 , Shan Zhang 1 , Dan Sun 1 , Yougen Tang 1 , Yu Ren 2 , Haiyan Wang 1
Advanced Science ( IF 14.3 ) Pub Date : 2020-11-27 , DOI: 10.1002/advs.202001809 Ze Feng 1 , Ranjusha Rajagopalan 1 , Shan Zhang 1 , Dan Sun 1 , Yougen Tang 1 , Yu Ren 2 , Haiyan Wang 1
Affiliation
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LiNi0.8Co0.1Mn0.1O2 cathodes suffer from severe bulk structural and interfacial degradation during battery operation. To address these issues, a three in one strategy using ZrB2 as the dopant is proposed for constructing a stable Ni‐rich cathode. In this strategy, Zr and B are doped into the bulk of LiNi0.8Co0.1Mn0.1O2, respectively, which is beneficial to stabilize the crystal structure and mitigate the microcracks. Meanwhile, during the high‐temperature calcination, some of the remaining Zr at the surface combined with the surface lithium source to form lithium zirconium coatings, which physically protect the surface and suppress the interfacial phase transition upon cycling. Thus, the 0.2 mol% ZrB2‐LiNi0.8Co0.1Mn0.1O2 cathode delivers a discharge capacity of 183.1 mAh g−1 after 100 cycles at 50 °C (1C, 3.0–4.3 V), with an outstanding capacity retention of 88.1%. The cycling stability improvement is more obvious when the cut‐off voltage increased to 4.4 V. Density functional theory confirms that the superior structural stability and excellent thermal stability are attributed to the higher exchange energy of Li/Ni exchange and the higher formation energy of oxygen vacancies by ZrB2 doping. The present work offers a three in one strategy to simultaneously stabilize the crystal structure and surface for the Ni‐rich cathode via a facile preparation process.
中文翻译：
实现稳定 LiNi0.8Co0.1Mn0.1O2 正极的锆掺杂、硼掺杂和界面涂层的三合一策略
LiNi 0.8 Co 0.1 Mn 0.1 O 2正极在电池运行过程中会遭受严重的整体结构和界面退化。为了解决这些问题，提出了一种使用 ZrB 2作为掺杂剂的三合一策略来构建稳定的富镍阴极。在该策略中，Zr和B分别掺杂到LiNi 0.8 Co 0.1 Mn 0.1 O 2体中，这有利于稳定晶体结构并减轻微裂纹。同时，在高温煅烧过程中，表面残留的部分Zr与表面锂源结合形成锂锆涂层，对表面进行物理保护并抑制循环时的界面相变。因此，0.2 mol% ZrB 2 -LiNi 0.8 Co 0.1 Mn 0.1 O 2正极在 50 °C（1C，3.0-4.3 V）下循环 100 次后放电容量为 183.1 mAh g -1 ，并且具有出色的容量保持率88.1%。当截止电压增加到4.4 V时，循环稳定性的改善更加明显。密度泛函理论证实，优异的结构稳定性和优异的热稳定性归因于Li/Ni交换的更高交换能和氧的更高形成能通过ZrB 2掺杂产生空位。目前的工作提供了一种三合一策略，通过简单的制备过程同时稳定富镍阴极的晶体结构和表面。
更新日期：2021-01-20
中文翻译：
实现稳定 LiNi0.8Co0.1Mn0.1O2 正极的锆掺杂、硼掺杂和界面涂层的三合一策略
LiNi 0.8 Co 0.1 Mn 0.1 O 2正极在电池运行过程中会遭受严重的整体结构和界面退化。为了解决这些问题，提出了一种使用 ZrB 2作为掺杂剂的三合一策略来构建稳定的富镍阴极。在该策略中，Zr和B分别掺杂到LiNi 0.8 Co 0.1 Mn 0.1 O 2体中，这有利于稳定晶体结构并减轻微裂纹。同时，在高温煅烧过程中，表面残留的部分Zr与表面锂源结合形成锂锆涂层，对表面进行物理保护并抑制循环时的界面相变。因此，0.2 mol% ZrB 2 -LiNi 0.8 Co 0.1 Mn 0.1 O 2正极在 50 °C（1C，3.0-4.3 V）下循环 100 次后放电容量为 183.1 mAh g -1 ，并且具有出色的容量保持率88.1%。当截止电压增加到4.4 V时，循环稳定性的改善更加明显。密度泛函理论证实，优异的结构稳定性和优异的热稳定性归因于Li/Ni交换的更高交换能和氧的更高形成能通过ZrB 2掺杂产生空位。目前的工作提供了一种三合一策略，通过简单的制备过程同时稳定富镍阴极的晶体结构和表面。
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