Trace Y Doping Regulated Bulk/Interfacial Reactions of P2-Layered Oxides for Ultrahigh-Rate Sodium-Ion Batteries.
Yong LiQinhao ShiXuan YuFanghua NingGuoliang LiuXuan WangJuan WangYunHua XuYufeng ZhaoPublished in: Small (Weinheim an der Bergstrasse, Germany) (2024)
P2-phase layered cathodes play a pivotal role in sodium-ion batteries due to their efficient Na + intercalation chemistry. However, limited by crystal disintegration and interfacial instability, bulk and interfacial failure plague their electrochemical performance. To address these challenges, a structural enhancement combined with surface modification is achieved through trace Y doping. Based on a synergistic combination of experimental results and density functional theory (DFT) calculations, the introduction of partial Y ions at the Na site (2d) acts as a stabilizing pillar, mitigating the electrostatic repulsions between adjacent TMO 2 slabs and thereby relieving internal structural stress. Furthermore, the presence of Y effectively optimizes the Ni 3d-O 2p hybridization, resulting in enhanced electronic conductivity and a notable rapid charging ability, with a capacity of 77.3 mA h g -1 at 40 C. Concurrently, the introduction of Y also induces the formation of perovskite nano-islands, which serve to minimize side reactions and modulate interfacial diffusion. As a result, the refined P2-Na 0.65 Y 0.025 [Ni 0.33 Mn 0.67 ]O 2 cathode material exhibits an exceptionally low volume variation (≈1.99%), an impressive capacity retention of 83.3% even at -40 °C after1500 cycles at 1 C.
Keyphrases
- ion batteries
- density functional theory
- molecular dynamics simulations
- ionic liquid
- transition metal
- electron transfer
- molecular dynamics
- perovskite solar cells
- room temperature
- molecular docking
- heavy metals
- metal organic framework
- gold nanoparticles
- quantum dots
- transcription factor
- drug delivery
- label free
- high resolution
- cancer therapy
- stress induced
- sensitive detection
- nucleic acid
- loop mediated isothermal amplification
- molecularly imprinted