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Title: Size dependent behavior of Fe3O4 crystals during electrochemical (de)lithiation: an in situ X-ray diffraction, ex situ X-ray absorption spectroscopy, transmission electron microscopy and theoretical investigation

Journal Article · · Physical Chemistry Chemical Physics. PCCP
DOI:https://doi.org/10.1039/c7cp03312e· OSTI ID:1402423
 [1];  [1];  [1];  [2];  [3];  [3];  [1];  [4];  [2]; ORCiD logo [5];  [2]; ORCiD logo [2]
  1. Brookhaven National Lab. (BNL), Upton, NY (United States)
  2. Stony Brook Univ., Stony Brook, NY (United States)
  3. Columbia Univ., New York, NY (United States)
  4. American Physical Society, Ridge, NY (United States)
  5. Brookhaven National Lab. (BNL), Upton, NY (United States); Stony Brook Univ., Stony Brook, NY (United States)

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

Research Organization:
Brookhaven National Lab. (BNL), Upton, NY (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)
Grant/Contract Number:
SC0012704
OSTI ID:
1402423
Alternate ID(s):
OSTI ID: 1425178
Report Number(s):
BNL-114433-2017-JA; BNL-114491-2017-JAAM; PPCPFQ; TRN: US1703237
Journal Information:
Physical Chemistry Chemical Physics. PCCP, Vol. 19, Issue 31; ISSN 1463-9076
Publisher:
Royal Society of ChemistryCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 39 works
Citation information provided by
Web of Science

References (73)

Spinel electrodes for lithium batteries — A review journal August 1987
A Tunable 3D Nanostructured Conductive Gel Framework Electrode for High-Performance Lithium Ion Batteries journal March 2017
What Happens Structurally and Electronically during the Li Conversion Reaction of CoFe 2 O 4 Nanoparticles: An Operando XAS and XRD Investigation journal January 2016
ATHENA , ARTEMIS , HEPHAESTUS : data analysis for X-ray absorption spectroscopy using IFEFFIT journal June 2005
The Electrochemistry of Fe 3 O 4 /Polypyrrole Composite Electrodes in Lithium-Ion Cells: The Role of Polypyrrole in Capacity Retention journal December 2016
Magnetoresistance of magnetite journal February 1998
Structural characterization of the lithiated iron oxides LixFe3O4 and LixFe2O3 (0<x<2) journal June 1982
Crystallite Size Control and Resulting Electrochemistry of Magnetite, Fe[sub 3]O[sub 4] journal January 2009
Structural and magnetic characterization of the lithiated iron oxide Li x Fe 3 O 4 journal March 1986
Ab initio curved-wave x-ray-absorption fine structure journal September 1991
A View from the Inside:  Complexity in the Atomic Scale Ordering of Supported Metal Nanoparticles journal December 2001
SnO reduction in lithium cells: study by X-ray absorption, 119Sn Mössbauer spectroscopy and X-ray diffraction journal December 2000
Insights into Ionic Transport and Structural Changes in Magnetite during Multiple-Electron Transfer Reactions journal March 2016
A Review on the Structural Studies of Batteries and Host Materials by X-Ray Absorption Spectroscopy journal January 2013
GSAS-II : the genesis of a modern open-source all purpose crystallography software package journal March 2013
Mesoscale Transport in Magnetite Electrodes for Lithium-Ion Batteries journal September 2015
The Scherrer Formula for X-Ray Particle Size Determination journal November 1939
Modeling the Mesoscale Transport of Lithium-Magnetite Electrodes Using Insight from Discharge and Voltage Recovery Experiments journal January 2015
Determination of crystallite size in a magnetic nanocomposite using extended x-ray absorption fine structure journal July 2003
In Situ X-ray Absorption Spectroscopy Study of the Capacity Fading Mechanism in Hybrid Sn 3 O 2 (OH) 2 /Graphite Battery Anode Nanomaterials journal January 2015
Nanocrystalline iron oxide based electroactive materials in lithium ion batteries: the critical role of crystallite size, morphology, and electrode heterostructure on battery relevant electrochemistry journal January 2016
Identification of carbon-encapsulated iron nanoparticles as active species in non-precious metal oxygen reduction catalysts journal August 2016
EXAFS study of size dependence of atomic structure in palladium nanoparticles journal April 2014
Theoretical x-ray absorption fine structure standards journal July 1991
X-ray diffraction and EXAFS analysis of materials for lithium-based rechargeable batteries journal December 2013
Lithium insertion into Fe3O4 journal November 1988
Progress in the theory and interpretation of XANES journal January 2005
Electrochemical and In Situ X‐Ray Diffraction Studies of Lithium Intercalation in LixCoO2 journal January 1992
In Situ XRD and Electrochemical Study of the Reaction of Lithium with Amorphous Silicon journal January 2004
XLI. Precision measurements of crystal parameters journal February 1933
Holy Grails in Chemistry: Investigating and Understanding Fast Electron/Cation Coupled Transport within Inorganic Ionic Matrices journal March 2017
Investigating the Complex Chemistry of Functional Energy Storage Systems: The Need for an Integrative, Multiscale (Molecular to Mesoscale) Perspective journal April 2016
In Situ XAFS Study of the Capacity Fading Mechanisms in ZnO Anodes for Lithium-Ion Batteries journal January 2015
Effect of Particle Size on Lithium Intercalation into α-Fe[sub 2]O[sub 3] journal January 2003
Electron/Ion Transport Enhancer in High Capacity Li-Ion Battery Anodes journal September 2016
Nano-sized transition-metal oxides as negative-electrode materials for lithium-ion batteries journal September 2000
Synthesis and rate performance of Fe3O4-based Cu nanostructured electrodes for Li ion batteries journal May 2011
Phase transitions in lithiated Cu2Sb anodes for lithium batteries: an in situ X-ray diffraction study journal July 2001
Electrochemical discharge of nanocrystalline magnetite: structure analysis using X-ray diffraction and X-ray absorption spectroscopy journal January 2013
Visualizing non-equilibrium lithiation of spinel oxide via in situ transmission electron microscopy journal May 2016
Probing the Li Insertion Mechanism of ZnFe 2 O 4 in Li-Ion Batteries: A Combined X-Ray Diffraction, Extended X-Ray Absorption Fine Structure, and Density Functional Theory Study journal May 2017
X-ray diffraction and extended x-ray absorption fine-structure characterization of nonspherical crystallographic grains in iron thin films journal December 2004
Galvanostatic interruption of lithium insertion into magnetite: Evidence of surface layer formation journal July 2016
The structure of magnetite: Symmetry of cubic spinels journal March 1986
Electrochemical activity of nanocrystalline Fe3O4 in aprotic Li and Na salt electrolytes journal September 2008
Real-space multiple-scattering calculation and interpretation of x-ray-absorption near-edge structure journal September 1998
Lithium extraction/insertion in LiFePO4: an X-ray diffraction and Mössbauer spectroscopy study journal May 2000
In situ X-ray diffraction and X-ray absorption studies of high-rate lithium-ion batteries journal January 2001
Redox chemistry of a binary transition metal oxide (AB 2 O 4 ): a study of the Cu 2+ /Cu 0 and Fe 3+ /Fe 0 interconversions observed upon lithiation in a CuFe 2 O 4 battery using X-ray absorption spectroscopy journal January 2016
Comparison of extended x-ray absorption fine structure and Scherrer analysis of x-ray diffraction as methods for determining mean sizes of polydisperse nanoparticles journal December 2005
Synthesis of Hierarchical Hollow-Structured Single-Crystalline Magnetite (Fe 3 O 4 ) Microspheres: The Highly Powerful Storage versus Lithium as an Anode for Lithium Ion Batteries journal March 2012
Carbon-Encapsulated Fe 3 O 4 Nanoparticles as a High-Rate Lithium Ion Battery Anode Material journal April 2013
Electrochemical and In Situ X-Ray Diffraction Studies of the Reaction of Lithium with Tin Oxide Composites journal January 1997
Magnetite/carbon core-shell nanorods as anode materials for lithium-ion batteries journal December 2008
Electrochemical Insertion of Li and Na Ions into Nanocrystalline Fe[sub 3]O[sub 4] and α-Fe[sub 2]O[sub 3] for Rechargeable Batteries journal January 2010
Nanocrystalline Magnetite: Synthetic Crystallite Size Control and Resulting Magnetic and Electrochemical Properties journal January 2010
Solving the structure of nanoparticles by multiple-scattering EXAFS analysis journal May 1999
2D Cross Sectional Analysis and Associated Electrochemistry of Composite Electrodes Containing Dispersed Agglomerates of Nanocrystalline Magnetite, Fe 3 O 4 journal June 2015
Toward Uniformly Dispersed Battery Electrode Composite Materials: Characteristics and Performance journal January 2016
The Chemistry of the Oxychlorination Catalyst: an In Situ, Time-Resolved XANES Study journal July 2002
Crystallographic Data 186. Lithium journal December 1959
Dispersion of Nanocrystalline Fe 3 O 4 within Composite Electrodes: Insights on Battery-Related Electrochemistry journal April 2016
IFEFFIT  : interactive XAFS analysis and FEFF fitting journal March 2001
Theoretical approaches to x-ray absorption fine structure journal July 2000
Variation in the iron oxidation states of magnetite nanocrystals as a function of crystallite size: The impact on electrochemical capacity journal April 2013
An X‐Ray Study of the Wüstite (FeO) Solid Solutions journal January 1933
Simulations of Lithium-Magnetite Electrodes Incorporating Phase Change journal June 2017
EXAFS as a tool to interrogate the size and shape of mono and bimetallic catalyst nanoparticles journal January 2010
Water-oxidation catalysis by manganese in a geochemical-like cycle journal May 2011
Discovery of Amorphous Iron Hydrides via Novel Quiescent Reaction in Aqueous Solution journal April 2020
Magnetosomes could be protective shields against metal stress in magnetotactic bacteria journal July 2020
The Chemistry of the Oxychlorination Catalyst: an In Situ, Time-Resolved XANES Study journal July 2002
Modeling the Mesoscale Transport of Lithium-Magnetite Electrodes Using Insight from Discharge and Voltage Recovery Experiments text January 2015

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In Situ Probing Multiple-Scale Structures of Energy Materials for Li-Ion Batteries journal May 2019
Synthesis and structural characterization of iron-cementite nanoparticles encapsulated in carbon matrix journal January 2020
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Figures / Tables (30)