Unraveling the Correlation between the Synthesis Time and Electrochemical Performance of Transition Metal Layered Oxides by In Situ Neutron Powder Diffraction

• DOI: 10.1021/acsaem.3c00482
• Publication Date: 2023-06-08T12:39:04Z
• Authors: Yingkai Hua; Zhiyuan Huang; Sen Li; Siyuan Chen; Xin He; Haodong Liu; Jun Feng
• Keywords: Powder Diffraction; Pair Distribution Function

Ni-rich layered transition metal oxides are promising cathodes for Li-ion batteries due to their low cost and high theoretical capacity. However, practical applications hindered by the capacity fading caused intrinsic lattice structure variations, such as changes in atom arrangement valence. In situ neutron powder diffraction is a powerful technique studying of battery materials expected provide more information than other techniques its nondestructive, high-resolution, light-element probing capability. Herein, we employed probe structural evolution during synthesis LiNi0.5Co0.2Mn0.3O2 real time, including metal–oxygen/lithium–oxygen (TM–O/Li–O) bond, phase formation, parameters function temperature isothermal dwelling time. The results revealed that cathode Variations TM–O/Li–O bond with time at an annealing 850 °C indicated instability may be possible mechanism discharging cycle stability performance. Our findings insights into correlation between NCM electrochemical performance can very helpful synthesizing high-performance oxide materials.