In Situ X-ray Diffraction and X-ray Absorption Spectroscopic Studies of a Lithium-Rich Layered Positive Electrode Material: Comparison of Composite and Core–Shell Structures

2020 ◽  
Vol 12 (12) ◽  
pp. 13852-13868 ◽  
Author(s):  
Cyril Osereme Ehi-Eromosele ◽  
Sylvio Indris ◽  
Natalia N. Bramnik ◽  
Angelina Sarapulova ◽  
Vanessa Trouillet ◽  
...  
Keyword(s):  
Electrode Material ◽  
Spectroscopic Studies ◽  
Positive Electrode ◽  
Shell Structures ◽  
Core Shell ◽  
X Ray Diffraction ◽  
X Ray ◽  
Positive Electrode Material ◽  
X Ray Absorption

scholarly journals Local structure and electrochemical performances of sulfurized polyethylene glycol after heat treatment

2020 ◽  
Vol 10 (1) ◽  
Author(s):  
Nobuhiko Takeichi ◽  
Toshikatsu Kojima ◽  
Hiroshi Senoh ◽  
Hisanori Ando
Keyword(s):  
Heat Treatment ◽  
Polyethylene Glycol ◽  
Electrode Material ◽  
Local Structure ◽  
High Energy ◽  
Positive Electrode ◽  
Electrochemical Performances ◽  
X Ray ◽  
Positive Electrode Material ◽  
X Ray Absorption

Abstract Designing a high-capacity positive electrode material is critical for the advancement of lithium-ion batteries. Sulfurized polyethylene glycol (SPEG), containing ca. 61 wt% of sulfur, is a promising positive electrode material that exhibits a large initial discharge capacity of more than 800 mAh g−1. In this study, we present the local structure and electrochemical performances of SPEG. A high-energy X-ray total scattering experiment revealed that sulfur in SPEG is predominantly fragmented and bound to carbon atoms. The changes in the physicochemical properties of SPEG due to heat treatment with nitrogen gas at various temperatures were investigated using thermogravimetric analysis, Raman spectroscopy, X-ray absorption near edge structure, and extended X-ray absorption fine structure. Comparing the electrochemical performances of SPEG after heat treatment at various temperatures, it was found that S–S and C=S bonds contribute to the overall electrochemical performance of SPEG.

scholarly journals Insertion of Phosphenium Ions into a Bicyclo[1.1.0]Tetraphosphabutane Iron Complex

Molecules ◽  
2021 ◽  
Vol 26 (13) ◽  
pp. 3920
Author(s):  
Martin Weber ◽  
Gábor Balázs ◽  
Alexander V. Virovets ◽  
Eugenia Peresypkina ◽  
Manfred Scheer
Keyword(s):  
Diffraction Analysis ◽  
Room Temperature ◽  
31P Nmr ◽  
Spectroscopic Studies ◽  
Iron Complex ◽  
The Novel ◽  
X Ray Diffraction ◽  
X Ray ◽  
Phosphenium Ions

By reacting [{Cp‴Fe(CO)2}2(µ,η1:1-P4)] (1) with in situ generated phosphenium ions [Ph2P][A] ([A]− = [OTf]− = [O3SCF3]−, [PF6]−), a mixture of two main products of the composition [{Cp‴Fe(CO)2}2(µ,η1:1-P5(C6H5)2)][PF6] (2a and 3a) could be identified by extensive 31P NMR spectroscopic studies at 193 K. Compound 3a was also characterized by X-ray diffraction analysis, showing the rarely observed bicyclo[2.1.0]pentaphosphapentane unit. At room temperature, the novel compound [{Cp‴Fe}(µ,η4:1-P5Ph2){Cp‴(CO)2Fe}][PF6] (4) is formed by decarbonylation. Reacting 1 with in situ generated diphenyl arsenium ions gives short-lived intermediates at 193 K which disproportionate at room temperature into tetraphenyldiarsine and [{Cp‴Fe(CO)2}4(µ4,η1:1:1:1-P8)][OTf]2 (5) containing a tetracyclo[3.3.0.02,7.03,6]octaphosphaoctane ligand.

Size dependent behavior of Fe3O4crystals during electrochemical (de)lithiation: an in situ X-ray diffraction, ex situ X-ray absorption spectroscopy, transmission electron microscopy and theoretical investigation

2017 ◽  
Vol 19 (31) ◽  
pp. 20867-20880 ◽  
Author(s):  
David C. Bock ◽  
Christopher J. Pelliccione ◽  
Wei Zhang ◽  
Janis Timoshenko ◽  
K. W. Knehr ◽  
...  
Keyword(s):  
Electron Microscopy ◽  
Structural Changes ◽  
Ex Situ ◽  
X Ray Diffraction ◽  
X Ray ◽  
Size Dependent ◽  
Transmission Electron ◽  
Dependent Behavior ◽  
X Ray Absorption

Crystal and atomic structural changes of Fe3O4upon electrochemical (de)lithiation were determined.

scholarly journals O3–NaxMn1/3Fe2/3O2 as a positive electrode material for Na-ion batteries: structural evolutions and redox mechanisms upon Na+ (de)intercalation

2015 ◽  
Vol 3 (20) ◽  
pp. 10976-10989 ◽  
Author(s):  
B. Mortemard de Boisse ◽  
J.-H. Cheng ◽  
D. Carlier ◽  
M. Guignard ◽  
C.-J. Pan ◽  
...  
Keyword(s):  
Electrode Material ◽  
Positive Electrode ◽  
Structural Transitions ◽  
Positive Electrode Material

O3–Na0.77Mn1/3Fe2/3O2 was studied by in situ XRPD. The system undergoes several structural transitions from 1.5 V to 4.3 V: O′3 → O3 → P3 → “X”.

scholarly journals Structural dynamics of an iron molybdate catalyst under redox cycling conditions studied with in situ multi edge XAS and XRD

2020 ◽  
Vol 22 (20) ◽  
pp. 11713-11723 ◽  
Author(s):  
Abhijeet Gaur ◽  
Matthias Stehle ◽  
Kristian Viegaard Raun ◽  
Joachim Thrane ◽  
Anker Degn Jensen ◽  
...  
Keyword(s):  
Phase Transformations ◽  
Absorption Spectroscopy ◽  
Structural Dynamics ◽  
Redox Cycling ◽  
X Ray Diffraction ◽  
Iron Molybdate ◽  
X Ray ◽  
X Ray Absorption

Combination of in situ multi-edge X-ray absorption spectroscopy at the Mo K- and Fe K-edges in combination with X-ray diffraction successfully uncovered structural dynamics and phase transformations of an iron molybdate catalyst during redox cycling.

Structural complexity of layered-spinel composite electrodes for Li-ion batteries

2010 ◽  
Vol 25 (8) ◽  
pp. 1601-1616 ◽  
Author(s):  
Jordi Cabana ◽  
Christopher S. Johnson ◽  
Xiao-Qing Yang ◽  
Kyung-Yoon Chung ◽  
Won-Sub Yoon ◽  
...  
Keyword(s):  
Structural Complexity ◽  
Composite Electrodes ◽  
Li Ion Batteries ◽  
X Ray Diffraction ◽  
X Ray ◽  
Different Temperatures ◽  
Li Ion ◽  
Excess Phase ◽  
X Ray Absorption

The complexity of layered-spinel yLi2MnO3·(1 – y)Li1+xMn2–xO4 (Li:Mn = 1.2:1; 0 ≤ x ≤ 0.33; y ≥ 0.45) composites synthesized at different temperatures has been investigated by a combination of x-ray diffraction (XRD), x-ray absorption spectroscopy (XAS), and nuclear magnetic resonance (NMR). While the layered component does not change substantially between samples, an evolution of the spinel component from a high to a low lithium excess phase has been traced with temperature by comparing with data for pure Li1+xMn2–xO4. The changes that occur to the structure of the spinel component and to the average oxidation state of the manganese ions within the composite structure as lithium is electrochemically removed in a battery have been monitored using these techniques, in some cases in situ. Our 6Li NMR results constitute the first direct observation of lithium removal from Li2MnO3 and the formation of LiMnO2 upon lithium reinsertion.

A Combined Experimental and Theoretical Study of Lithiation Mechanism in ZnFe2O4 Anode Materials

MRS Advances ◽  
2018 ◽  
Vol 3 (14) ◽  
pp. 773-778 ◽  
Author(s):  
Lei Wang ◽  
Alison McCarthy ◽  
Kenneth J. Takeuchi ◽  
Esther S. Takeuchi ◽  
Amy C. Marschilok
Keyword(s):  
Early Stage ◽  
Deep Understanding ◽  
Lithium Ion ◽  
Oxidation Products ◽  
Ex Situ ◽  
Theoretical Modelling ◽  
X Ray Diffraction ◽  
X Ray ◽  
X Ray Absorption

ABSTRACTZnFe2O4 (ZFO) represents a promising anode material for lithium ion batteries, but there is still a lack of deep understanding of the fundamental reduction mechanism associated with this material. In this paper, the complete visualization of reduction/oxidation products irrespective of their crystallinity was achieved experimentally through a compilation of in situ X-ray diffraction, synchrotron based powder diffraction, and ex-situ X-ray absorption fine structure data. Complementary theoretical modelling study further shed light upon the fundamental understanding of the lithiation mechanism, especially at the early stage from ZnFe2O4 up to LixZnFe2O4 (x = 2).

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