Identifying the Local Structures Formed during Lithiation of the Conversion Material, Iron Fluoride, in a Li Ion Battery: A Solid-State NMR, X-ray Diffraction, and Pair Distribution Function Analysis Study

2009 ◽  
Vol 131 (30) ◽  
pp. 10525-10536 ◽  
Author(s):  
Naoko Yamakawa ◽  
Meng Jiang ◽  
Baris Key ◽  
Clare P. Grey
Keyword(s):  
Solid State Nmr ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Li Ion Battery ◽  
X Ray Diffraction ◽  
Analysis Study ◽  
Iron Fluoride ◽  
X Ray ◽  
Local Structures ◽  
Li Ion

scholarly journals Short-Range Ordering in Battery Electrode, the ‘Cation-Disordered’ Rocksalt Li1.25Nb0.25Mn0.5O2

2019 ◽  
Author(s):  
Michael Jones ◽  
Philip J. Reeves ◽  
Ieuan D. Seymour ◽  
Matthew J. Cliffe ◽  
Siân E. Dutton ◽  
...  
Keyword(s):  
Local Structure ◽  
Solid State Nmr ◽  
Cation Ordering ◽  
Li Ion Battery ◽  
X Ray Diffraction ◽  
X Ray ◽  
Short Range Ordering ◽  
Battery Electrode ◽  
Li Ion ◽  
Battery Material

We show the occurrence of local cation ordering in Li-ion battery material Li<sub>1.25</sub>Nb<sub>0.25</sub>Mn<sub>0.5</sub>O<sub>2</sub>, previously thought to be disordered. We deduce this ordering from X-ray diffraction, and test it against neutron diffraction & PDF, magnetic susceptibility and solid state NMR evidence. We identify the nature of the ordering as having a local structure related to that of gamma-LiFeO<sub>2</sub>, determine the correlation length of such ordering, and demonstrate its significant consequences for the material's electrochemistry.

scholarly journals Short-Range Ordering in Battery Electrode, the ‘Cation-Disordered’ Rocksalt Li1.25Nb0.25Mn0.5O2

2019 ◽  
Author(s):  
Michael Jones ◽  
Philip J. Reeves ◽  
Ieuan D. Seymour ◽  
Matthew J. Cliffe ◽  
Siân E. Dutton ◽  
...  
Keyword(s):  
Local Structure ◽  
Solid State Nmr ◽  
Cation Ordering ◽  
Li Ion Battery ◽  
X Ray Diffraction ◽  
X Ray ◽  
Short Range Ordering ◽  
Battery Electrode ◽  
Li Ion ◽  
Battery Material

We show the occurrence of local cation ordering in Li-ion battery material Li<sub>1.25</sub>Nb<sub>0.25</sub>Mn<sub>0.5</sub>O<sub>2</sub>, previously thought to be disordered. We deduce this ordering from X-ray diffraction, and test it against neutron diffraction & PDF, magnetic susceptibility and solid state NMR evidence. We identify the nature of the ordering as having a local structure related to that of gamma-LiFeO<sub>2</sub>, determine the correlation length of such ordering, and demonstrate its significant consequences for the material's electrochemistry.

Thermal stability of Mg3Sb1.475Bi0.475Te0.05 high performance n-type thermoelectric investigated through powder X-ray diffraction and pair distribution function analysis

2018 ◽  
Vol 6 (35) ◽  
pp. 17171-17176 ◽  
Author(s):  
Lasse Rabøl Jørgensen ◽  
Jiawei Zhang ◽  
Christian Bonar Zeuthen ◽  
Bo Brummerstedt Iversen
Keyword(s):  
Thermal Stability ◽  
Distribution Function ◽  
Pair Distribution Function ◽  
High Performance ◽  
Function Analysis ◽  
X Ray Diffraction ◽  
X Ray ◽  
Thermal Stability Of

The thermal stability of the high performance n-type Te-doped Mg3Sb1.5Bi0.5 system is investigated.

In situ X-ray diffraction studies of a graphite-based Li-ion battery negative electrode

1996 ◽  
Vol 63 (1) ◽  
pp. 41-45 ◽  
Author(s):  
A.H. Whitehead ◽  
K. Edström ◽  
N. Rao ◽  
J.R. Owen
Keyword(s):  
Negative Electrode ◽  
Li Ion Battery ◽  
X Ray Diffraction ◽  
X Ray ◽  
Li Ion

Pair distribution function analysis of X-ray diffraction from amorphous spheres in an asymmetric transmission geometry: application to a Zr58.5Cu15.6Ni12.8Al10.3Nb2.8glass

2013 ◽  
Vol 46 (4) ◽  
pp. 999-1007 ◽  
Author(s):  
J. C. Bendert ◽  
N. A. Mauro ◽  
K. F. Kelton
Keyword(s):  
Distribution Function ◽  
Error Propagation ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
X Ray Diffraction ◽  
Asymmetric Transmission ◽  
X Ray ◽  
Area Detector ◽  
Spherical Sample ◽  
Transmission Geometry

A method for the calculation of the pair distribution and structure functions from X-ray intensity data obtained with an area detector for an off-center incident X-ray beam on an amorphous sphere is presented. Error propagation for converting from the structure function to the pair distribution function is also described, including a summation series approach to treat the error from a high-qtruncation. A Zr58.5Cu15.6Ni12.8Al10.3Nb2.8glass (Vitreloy 106a) is used to demonstrate the techniques. In particular, the semi-analytical corrections presented to calculate the effects of secondary scatter within and asymmetric transmission through a spherical sample are verified.

Synthesis of MoO3/V2O5/C Composite as Novel Anode for Li-Ion Battery Application

2020 ◽  
Vol 20 (5) ◽  
pp. 2911-2916
Author(s):  
Zhen Zhang ◽  
Xiao Chen ◽  
Guangxue Zhang ◽  
Chuanqi Feng
Keyword(s):  
Electron Microscopy ◽  
Photoelectron Spectroscopy ◽  
Specific Capacity ◽  
Lithium Ion ◽  
Li Ion Battery ◽  
X Ray Diffraction ◽  
X Ray ◽  
Transmission Electron ◽  
Li Ion ◽  
Battery Application

The MoO3/V2O5/C, MoO3/C and V2O5/C are synthesized by electrospinning combined with heat treatment. These samples are characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Raman spectroscopy and thermogravimetric analysis (TG) techniques. The results show that sample MoO3/V2O5/C is a composite composed from MoO3, V2O5 and carbon. It takes on morphology of the nanofibers with the diameter of 200~500 nm. The TG analysis result showed that the carbon content in the composite is about 40.63%. Electrochemical properties for these samples are studied. When current density is 0.2 A g−1, the MoO3/V2O5/C could retain the specific capacity of 737.6 mAh g−1 after 200 cycles and its coulomb efficiency is 92.99%, which proves that MoO3/V2O5/C has better electrochemical performance than that of MoO3/C and V2O5/C. The EIS and linear Warburg coefficient analysis results show that the MoO3/V2O5/C has larger Li+ diffusion coefficient and superior conductivity than those of MoO3/C or V2O5/C. So MoO3/V2O5/C is a promising anode material for lithium ion battery application.

scholarly journals Exploring the origins of crystallisation kinetics in hierarchical materials using in situ X-ray diffraction and pair distribution function analysis

2020 ◽  
Vol 22 (34) ◽  
pp. 18860-18867 ◽  
Author(s):  
Matthew E. Potter ◽  
Mark E. Light ◽  
Daniel J. M. Irving ◽  
Alice E. Oakley ◽  
Stephanie Chapman ◽  
...  
Keyword(s):  
Distribution Function ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
X Ray Diffraction ◽  
Crystallisation Kinetics ◽  
Total Scattering ◽  
Hierarchically Porous ◽  
X Ray ◽  
Scattering Measurements

Novel in situ synchrotron total scattering measurements probe the assembly of primary building units into templated hierarchically porous aluminophosphate catalysts, providing unique insights to understanding crystallisation kinetics.

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