材料科学
无定形固体
电解质
化学工程
锂(药物)
再结晶(地质)
相间
氧化物
介孔材料
冶金
结晶学
电极
物理化学
有机化学
古生物学
催化作用
化学
内分泌学
工程类
生物
医学
遗传学
作者
Sugato Basu,Gyeong S. Hwang
标识
DOI:10.1021/acsami.3c14279
摘要
The safety and cycle life of lithium-ion batteries (LIBs) are largely determined by the solid electrolyte interphase (SEI) formed on the surface of the anode. However, there is still a lack of understanding regarding the structure and properties of the individual SEI components. Among others, lithium oxide (Li2O), lithium carbonate (Li2CO3), and lithium fluoride (LiF) are known to be the main components of the inorganic SEI layer in conventional LIBs, but their intrinsic protective roles remain controversial. Herein, we present the transformational effects of their amorphous phase on the mechanical and transport characteristics, based on first-principles calculations. Our studies clearly demonstrate that their amorphous phases exhibit significantly improved Li-ion conductivity when compared to the crystalline structures. Additionally, among them, amorphous LiF emerges as a frontrunner for fast Li+ ion transportation, reversing the conventionally understood hierarchy. Under ambient conditions, the amorphous phases of LiF, Li2O, and Li2CO3 are thermodynamically unstable and tend to undergo recrystallization. However, this work highlights that exceptionally ductile and resilient amorphous phases can form if SEI formation and growth would involve some admixing of lithiophilic impurities like nitrogen (N) within the host matrices.
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