Influence of different valence ion doping on performance of sodium battery cathode material
The cathode material,as a key component to provide free-moving sodium ions,closely affects the performance of sodium ion batteries.Among them,the O3-type NaNi1/3Fe1/3Mn1/3O2(NFM333)has different effects on the performance of sodium-ion batteries due to the different properties of its three different transition metals.14 elements with 4 valence levels are selected to dope the Ni sites of NFM333.Based on the density functional theory,the change of volume rate,layer spacing,sodium removal,migration barrier,de-embedding voltage,and lattice oxygen activity of materials before and after doping are investigated in order to evaluate the structural stability,cycling performance,diffusion rate and safety performance of the materials as cathode materials of sodium-ion batteries.Doping with low-valent elements is more stable and can increase the average voltage,while doping with high-valent elements will inhibit the O/P phase transition and have a faster diffusion rate.The performance comparison before and after doping provides ideas for the development of excellent cathode materials.
sodium ion batterycathode materialion dopingdensity functional theory
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