Li Tao, Song Minghui, Zhang Qi, Li Yifan, Yu Gengchen, Bai Xue
Department of Materials Engineering, Xuzhou College of Industrial Technology, Xuzhou 221140, China.
School of Materials Science and Engineering, Shandong University of Science and Technology, Qingdao 266590, China.
Molecules. 2024 Dec 26;30(1):34. doi: 10.3390/molecules30010034.
Metal-organic framework (MOF)-derived transition metal compounds and their composites have attracted great interest for applications in energy conversion and storage. In this work, hexagonal micro-prisms of Ni-doped CoTiO composited with amorphous carbon (NiCTO/C) were synthesized using Ti-Co-based MOFs as precursors. The experimental results indicate the substitutional doping of Ni for Co in CoTiO (CTO), leading to improved conductivity, as further confirmed by density functional theory calculations. Thus, the carbon-free sample of Ni-doped CTO exhibits improved lithium storage properties compared to the pristine one. Furthermore, when coupled with in situ-formed carbon, the dually modified NiCTO/C micro-prisms demonstrated a significantly increased reversible capacity of 584.8 mA h g, excellent rate capability, and superior cycling stability at a high current density of 500 mA g. This enhanced electrochemical performance can be attributed to the synergistic effect of Ni doping and carbon coating.
金属有机框架（MOF）衍生的过渡金属化合物及其复合材料在能量转换和存储应用中引起了极大的关注。在这项工作中，以Ti-Co基MOF为前驱体，合成了与非晶碳复合的Ni掺杂CoTiO六方微棱镜（NiCTO/C）。实验结果表明，Ni在CoTiO（CTO）中对Co进行了替代掺杂，导致导电性提高，密度泛函理论计算进一步证实了这一点。因此，与原始样品相比，Ni掺杂CTO的无碳样品表现出改善的锂存储性能。此外，当与原位形成的碳耦合时，双重改性的NiCTO/C微棱镜在500 mA g的高电流密度下表现出显著提高的可逆容量584.8 mA h g、优异的倍率性能和出色的循环稳定性。这种增强的电化学性能可归因于Ni掺杂和碳涂层的协同效应。
