Insights into Structural Transformations in the Local Structure of Li2VO2F Using Operando X-ray Diffraction and Total Scattering: Amorphization and Recrystallization

被引：16

作者：

Baur, Christian ^{[1
,2
]}

Lacatusu, Monica-Elisabeta ^{[2
]}

Fichtner, Maximilian ^{[1
,3
]}

Johnsen, Rune E. ^{[2
]}

机构：

[1] Helmholtz Inst Ulm, D-89081 Ulm, Germany

[2] Tech Univ Denmark, Dept Energy Convers & Storage, DK-2800 Lyngby, Denmark

[3] Karlsruhe Inst Technol KIT, Inst Nanotechnol, D-76344 Eggenstein Leopoldshafen, Germany

来源：

ACS APPLIED MATERIALS & INTERFACES | 2020年 / 12卷 / 24期

基金：

欧盟地平线“2020”;

关键词：

X-ray powder diffraction; pair distribution function analysis; Li-ion batteries; disordered rock salt; Li-rich FCC; OXYFLUORIDE; STABILITY; EVOLUTION; VANADIUM; CRYSTAL;

D O I：

10.1021/acsami.0c02391

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Disordered rock salt Li2VO2F cathode material for lithium-ion batteries was investigated using operando X-ray diffraction and total scattering to gain insight into the structural changes of the short-range and long-range orders during electrochemical cycling. The X-ray powder diffraction data show the well-known pattern of the disordered rock salt cubic structure, whereas the pair distribution function (PDF) analysis reveals significant deviations from the ideal cubic structure. During battery operation, a reversible rock salt-to-amorphous phase transformation is observed, upon Li extraction and reinsertion. The X-ray total scattering data show strong indications of the formation of tetrahedrally coordinated V in a nondisordered rock salt phase of the charged electrode material. The results show that the disordered rock salt Li2VO2F material undergoes a hidden structural rearrangement during battery operation.

引用

页码：27010 / 27016

页数：7

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