Galashev Alexander
Institute of High-Temperature Electrochemistry, Ural Branch, Russian Academy of Sciences, Akademicheskaya Str. 20, Yekaterinburg 620066, Russia.
Institute of Chemical Engineering, Ural Federal University Named after the First President of Russia B.N. Yeltsin, Mira Str., 19, Yekaterinburg 620002, Russia.
Materials (Basel). 2023 Jan 11;16(2):704. doi: 10.3390/ma16020704.
Development of high-performance lithium-ion batteries (LIBs) is boosted by the needs of the modern automotive industry and the wide expansion of all kinds of electronic devices. First of all, improvements should be associated with an increase in the specific capacity and charging rate as well as the cyclic stability of electrode materials. The complexity of experimental anode material selection is now the main limiting factor in improving LIB performance. Computer selection of anode materials based on first-principles and classical molecular dynamics modeling can be considered as the main paths to success. However, even combined anodes cannot always provide high LIB characteristics and it is necessary to resort to their alloying. Transmutation neutron doping (NTD) is the most appropriate way to improve the properties of thin film silicon anodes. In this review, the effectiveness of the NTD procedure for silicene/graphite (nickel) anodes is shown. With moderate P doping (up to 6%), the increase in the capacity of a silicene channel on a Ni substrate can be 15-20%, while maintaining the safety margin of silicene during cycling. This review can serve as a starting point for meaningful selection and optimization of the performance of anode materials.
现代汽车工业的需求以及各类电子设备的广泛普及推动了高性能锂离子电池（LIBs）的发展。首先，改进应与提高比容量、充电速率以及电极材料的循环稳定性相关。目前，实验性负极材料选择的复杂性是提高LIB性能的主要限制因素。基于第一性原理和经典分子动力学建模的负极材料计算机筛选可被视为成功的主要途径。然而，即使是复合负极也并非总能提供高LIB性能，因此有必要对其进行合金化处理。嬗变中子掺杂（NTD）是改善薄膜硅负极性能的最合适方法。在本综述中，展示了NTD工艺对硅烯/石墨（镍）负极的有效性。通过适度的P掺杂（高达6%），Ni衬底上硅烯通道的容量可增加15 - 20%，同时在循环过程中保持硅烯的安全裕度。本综述可作为有意义地选择和优化负极材料性能的起点。
