(De)lithiation of spinel ferrites Fe3O4, MgFe2O4, and ZnFe2O4: a combined spectroscopic, diffraction and theory study

Bock, David C.; Tallman, Killian R.; Guo, Haoyue; Quilty, Calvin; Yan, Shan; Smith, Paul F.; Zhang, Bingjie; Lutz, Diana M.; McCarthy, Alison H.; Huie, Matthew M.; Burnett, Veronica; Bruck, Andrea M.; Marschilok, Amy C.; Takeuchi, Esther S.; Liu, Ping; Takeuchi, Kenneth J.

doi:10.1039/d0cp02322a

Title: (De)lithiation of spinel ferrites Fe₃O₄, MgFe₂O₄, and ZnFe₂O₄: a combined spectroscopic, diffraction and theory study

Journal Article · Tue Nov 17 00:00:00 EST 2020 · Physical Chemistry Chemical Physics. PCCP

DOI:https://doi.org/10.1039/d0cp02322a· OSTI ID:1749901

Bock, David C. ^[1];

^[2]; Guo, Haoyue ^[2];

^[3]; Yan, Shan ^[1];

^[4]; Zhang, Bingjie ^[2];

^[5];

^[6]; Huie, Matthew M. ^[2]; Burnett, Veronica ^[2];

^[2];

^[7];

^[1];

^[8]

Brookhaven National Lab. (BNL), Upton, NY (United States)
Stony Brook Univ., NY (United States)
Department of Chemistry;State University of New York at Stony Brook;Stony Brook;USA
Stony Brook Univ., NY (United States); Valparaiso Univ., IN (United States)
Stony Brook Univ., NY (United States); Elmira College, NY (United States)
Stony Brook Univ., NY (United States); College of New Jersey, Ewing, NJ (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States); State Univ. of New York (SUNY), Stony Brook, NY (United States)
State Univ. of New York (SUNY), Stony Brook, NY (United States)

Iron based materials hold promise as next generation battery electrode materials for Li ion batteries due to their earth abundance, low cost, and low environmental impact. The iron oxide, magnetite Fe₃O₄, adopts the spinel (AB₂O₄) structure. Other 2+ cation transition metal centers can also occupy both tetrahedral and/or octahedral sites in the spinel structure including MgFe₂O₄, a partially inverse spinel, and ZnFe₂O₄, a normal spinel. Though structurally similar to Fe₃O₄ in the pristine state, previous studies suggest significant differences in structural evolution depending on the 2+ cation in the structure. This investigation involves X-ray absorption spectroscopy and X-ray diffraction affirmed by density functional theory (DFT) to elucidate the role of the 2+ cation on the structural evolution and phase transformations during (de)lithiation of the spinel ferrites Fe₃O₄, MgFe₂O₄, and ZnFe₂O₄. The cation in the inverse, normal and partially inverse spinel structures located in the tetrahedral (8a) site migrates to the previously unoccupied octahedral 16c site by 2 electron equivalents of lithiation, resulting in a disordered [A]_16c[B₂]_16dO₄ structure. DFT calculations support the experimental results, predicting full displacement of the 8a cation to the 16c site at 2 electron equivalents. Here, substitution of the 2+ cation results in segregation of oxidized phases in the charged state. This report provides significant structural insight into the (de)lithiation mechanisms for an intriguing class of iron oxide materials.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)

Grant/Contract Number:: SC0012704; SC0012673; AC02-06CH11357; 1659657; 1109408

OSTI ID:: 1749901

Alternate ID(s):: OSTI ID: 1716533

Report Number(s):: BNL-220742-2020-JAAM

Journal Information:: Physical Chemistry Chemical Physics. PCCP, Vol. 22, Issue 45; ISSN 1463-9076

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

References (71)

Nanocrystalline iron oxide based electroactive materials in lithium ion batteries: the critical role of crystallite size, morphology, and electrode heterostructure on battery relevant electrochemistry Bruck, Andrea M.; Cama, Christina A.; Gannett, Cara N. Inorganic Chemistry Frontiers, Vol. 3, Issue 1 https://doi.org/10.1039/C5QI00247H	journal	January 2016
Structural characterization of the lithiated iron oxides LixFe3O4 and LixFe2O3 (0<x<2) Thackeray, M. M.; David, W. I. F.; Goodenough, J. B. Materials Research Bulletin, Vol. 17, Issue 6 https://doi.org/10.1016/0025-5408(82)90029-0	journal	June 1982
Size dependent behavior of Fe ₃ O ₄ crystals during electrochemical (de)lithiation: an in situ X-ray diffraction, ex situ X-ray absorption spectroscopy, transmission electron microscopy and theoretical investigation Bock, David C.; Pelliccione, Christopher J.; Zhang, Wei Physical Chemistry Chemical Physics, Vol. 19, Issue 31 https://doi.org/10.1039/C7CP03312E	journal	January 2017
Insights into Ionic Transport and Structural Changes in Magnetite during Multiple-Electron Transfer Reactions Zhang, Wei; Bock, David C.; Pelliccione, Christopher J. Advanced Energy Materials, Vol. 6, Issue 10 https://doi.org/10.1002/aenm.201502471	journal	March 2016
Revisiting the origin of cycling enhanced capacity of Fe3O4 based nanostructured electrode for lithium ion batteries Huang, Yuan; Xu, Zihan; Mai, Jiangquan Nano Energy, Vol. 41 https://doi.org/10.1016/j.nanoen.2017.10.001	journal	November 2017
Synthesis and application of iron-based nanomaterials as anodes of lithium-ion batteries and supercapacitors Yu, Shijin; Hong Ng, Vincent Ming; Wang, Fajun Journal of Materials Chemistry A, Vol. 6, Issue 20 https://doi.org/10.1039/C8TA01683F	journal	January 2018
Lithium storage in hollow spherical ZnFe2O4 as anode materials for lithium ion batteries Guo, Xianwei; Lu, Xia; Fang, Xiangpeng Electrochemistry Communications, Vol. 12, Issue 6 https://doi.org/10.1016/j.elecom.2010.04.003	journal	June 2010
MgFe2O4 nanoparticles as anode materials for lithium-ion batteries Pan, Yue; Zhang, Ying; Wei, Xiaopei Electrochimica Acta, Vol. 109 https://doi.org/10.1016/j.electacta.2013.07.026	journal	October 2013
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 Zhang, Yiman; Pelliccione, Christopher J.; Brady, Alexander B. Chemistry of Materials, Vol. 29, Issue 10 https://doi.org/10.1021/acs.chemmater.7b00467	journal	May 2017
Local structural changes of nano-crystalline ZnFe 2 O 4 during lithiation and de-lithiation studied by X-ray absorption spectroscopy Zhou, Dong; Jia, Haiping; Rana, Jatinkumar Electrochimica Acta, Vol. 246 https://doi.org/10.1016/j.electacta.2017.06.098	journal	August 2017
Nanocrystalline ZnFe[sub 2]O[sub 4] and Ag-Doped ZnFe[sub 2]O[sub 4] Films Used as New Anode Materials for Li-Ion Batteries NuLi, Yan-Na; Chu, Yan-Qiu; Qin, Qi-Zong Journal of The Electrochemical Society, Vol. 151, Issue 7 https://doi.org/10.1149/1.1760576	journal	January 2004
Li-storage and cyclability of urea combustion derived ZnFe2O4 as anode for Li-ion batteries Sharma, Yogesh; Sharma, N.; Rao, G. V. Subba Electrochimica Acta, Vol. 53, Issue 5 https://doi.org/10.1016/j.electacta.2007.09.059	journal	January 2008
Nanoweb anodes composed of one-dimensional, high aspect ratio, size tunable electrospun ZnFe2O4 nanofibers for lithium ion batteries Teh, Pei Fen; Sharma, Yogesh; Pramana, Stevin Snellius Journal of Materials Chemistry, Vol. 21, Issue 38 https://doi.org/10.1039/c1jm12088c	journal	January 2011
Synthesis of Binary Magnesium–Transition Metal Oxides via Inverse Coprecipitation Yagi, Shunsuke; Ichikawa, Yuya; Yamada, Ikuya Japanese Journal of Applied Physics, Vol. 52, Issue 2R https://doi.org/10.7567/JJAP.52.025501	journal	February 2013
Nanostructured MgFe2O4 as anode materials for lithium-ion batteries Sivakumar, N.; Gnanakan, S. R. P.; Karthikeyan, K. Journal of Alloys and Compounds, Vol. 509, Issue 25 https://doi.org/10.1016/j.jallcom.2011.03.123	journal	June 2011
Is there a universal reaction mechanism of Li insertion into oxidic spinels: a case study using MgFe ₂ O ₄ Permien, Stefan; Indris, Sylvio; Scheuermann, Marco Journal of Materials Chemistry A, Vol. 3, Issue 4 https://doi.org/10.1039/C4TA05054A	journal	January 2015
Elucidation of the Electrochemical Reaction Mechanism in MFe ₂ O ₄ (M=Ni, Co) Conversion-Type Negative Electrode Systems by using In Situ X-ray Absorption Spectroscopy Balachandran, Geethu; Dixon, Ditty; Bramnik, Natalia ChemElectroChem, Vol. 2, Issue 10 https://doi.org/10.1002/celc.201500197	journal	July 2015
Elucidation of the Conversion Reaction of CoMnFeO ₄ Nanoparticles in Lithium Ion Battery Anode via Operando Studies Permien, Stefan; Indris, Sylvio; Hansen, Anna-Lena ACS Applied Materials & Interfaces, Vol. 8, Issue 24 https://doi.org/10.1021/acsami.6b03185	journal	June 2016
Transition metal cations on the move: simultaneous operando X-ray absorption spectroscopy and X-ray diffraction investigations during Li uptake and release of a NiFe ₂ O ₄ /CNT composite Permien, Stefan; Neumann, Tobias; Indris, Sylvio Physical Chemistry Chemical Physics, Vol. 20, Issue 28 https://doi.org/10.1039/C8CP02919A	journal	January 2018
Investigation of electronic and local structural changes during lithium uptake and release of nano-crystalline NiFe2O4 by X-ray absorption spectroscopy Zhou, Dong; Permien, Stefan; Rana, Jatinkumar Journal of Power Sources, Vol. 342 https://doi.org/10.1016/j.jpowsour.2016.12.038	journal	February 2017
Nanocrystalline Magnetite: Synthetic Crystallite Size Control and Resulting Magnetic and Electrochemical Properties Zhu, Shali; Marschilok, Amy C.; Takeuchi, Esther S. Journal of The Electrochemical Society, Vol. 157, Issue 11 https://doi.org/10.1149/1.3478667	journal	January 2010
ATHENA , ARTEMIS , HEPHAESTUS : data analysis for X-ray absorption spectroscopy using IFEFFIT Ravel, B.; Newville, M. Journal of Synchrotron Radiation, Vol. 12, Issue 4 https://doi.org/10.1107/S0909049505012719	journal	June 2005
Theoretical x-ray absorption fine structure standards Rehr, J. J.; Mustre de Leon, J.; Zabinsky, S. I. Journal of the American Chemical Society, Vol. 113, Issue 14 https://doi.org/10.1021/ja00014a001	journal	July 1991
Synthesis of nanocrystalline zinc ferrite powders from sulphuric pickling waste water López, F. A.; López-Delgado, A.; Martı́n de Vidales, J. L. Journal of Alloys and Compounds, Vol. 265, Issue 1-2 https://doi.org/10.1016/S0925-8388(97)00282-X	journal	January 1998
XLI. Precision measurements of crystal parameters Owen, E. A.; Yates, E. L. The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science, Vol. 15, Issue 98 https://doi.org/10.1080/14786443309462199	journal	February 1933
GSAS-II : the genesis of a modern open-source all purpose crystallography software package Toby, Brian H.; Von Dreele, Robert B. Journal of Applied Crystallography, Vol. 46, Issue 2 https://doi.org/10.1107/S0021889813003531	journal	March 2013
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium Kresse, G.; Hafner, J. Physical Review B, Vol. 49, Issue 20, p. 14251-14269 https://doi.org/10.1103/PhysRevB.49.14251	journal	May 1994
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Band theory and Mott insulators: Hubbard U instead of Stoner I Anisimov, Vladimir I.; Zaanen, Jan; Andersen, Ole K. Physical Review B, Vol. 44, Issue 3, p. 943-954 https://doi.org/10.1103/PhysRevB.44.943	journal	July 1991
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
A first principles study of spinel ZnFe ₂ O ₄ for electrode materials in lithium-ion batteries Guo, Haoyue; Zhang, Yiman; Marschilok, Amy C. Physical Chemistry Chemical Physics, Vol. 19, Issue 38 https://doi.org/10.1039/C7CP04590E	journal	January 2017
Essential Role of Spinel ZnFe ₂ O ₄ Surfaces during Lithiation Guo, Haoyue; Marschilok, Amy C.; Takeuchi, Kenneth J. ACS Applied Materials & Interfaces, Vol. 10, Issue 41 https://doi.org/10.1021/acsami.8b12869	journal	September 2018
Essential Role of Spinel MgFe ₂ O ₄ Surfaces during Discharge Guo, Haoyue; Durham, Jessica L.; Brady, Alexander B. Journal of The Electrochemical Society, Vol. 167, Issue 9 https://doi.org/10.1149/1945-7111/ab7f89	journal	January 2020
Density Functional Theory (DFT) Study of Enthalpy of Formation. 1. Consistency of DFT Energies and Atom Equivalents for Converting DFT Energies into Enthalpies of Formation Mole, Susan J.; Zhou, Xuefeng; Liu, Ruifeng The Journal of Physical Chemistry, Vol. 100, Issue 35 https://doi.org/10.1021/jp960801h	journal	January 1996
Phase formation, morphology and magnetic properties of MgFe2O4 nanoparticles synthesized by hydrothermal technique Nonkumwong, Jeeranan; Ananta, Supon; Jantaratana, Pongsakorn Journal of Magnetism and Magnetic Materials, Vol. 381 https://doi.org/10.1016/j.jmmm.2015.01.001	journal	May 2015
Effects on structural, optical, and magnetic properties of pure and Sr-substituted MgFe2O4 nanoparticles at different calcination temperatures Loganathan, A.; Kumar, K. Applied Nanoscience, Vol. 6, Issue 5 https://doi.org/10.1007/s13204-015-0480-0	journal	July 2015
Sandwich-Structured Graphene-Fe ₃ O ₄ @Carbon Nanocomposites for High-Performance Lithium-Ion Batteries Zhao, Li; Gao, Miaomiao; Yue, Wenbo ACS Applied Materials & Interfaces, Vol. 7, Issue 18 https://doi.org/10.1021/acsami.5b01503	journal	April 2015
Lithiation of Magnetite (Fe ₃ O ₄ ): Analysis Using Isothermal Microcalorimetry and Operando X-ray Absorption Spectroscopy Huie, Matthew M.; Bock, David C.; Wang, Lei The Journal of Physical Chemistry C, Vol. 122, Issue 19 https://doi.org/10.1021/acs.jpcc.8b01681	journal	April 2018
Isothermal Microcalorimetry: Insight into the Impact of Crystallite Size and Agglomeration on the Lithiation of Magnetite, Fe ₃ O ₄ Huie, Matthew M.; Bock, David C.; Bruck, Andrea M. ACS Applied Materials & Interfaces, Vol. 11, Issue 7 https://doi.org/10.1021/acsami.8b20636	journal	January 2019
Self-Assembled Fe ₃ O ₄ Nanoparticle Clusters as High-Performance Anodes for Lithium Ion Batteries via Geometric Confinement Lee, Soo Hong; Yu, Seung-Ho; Lee, Ji Eun Nano Letters, Vol. 13, Issue 9 https://doi.org/10.1021/nl401952h	journal	August 2013
Is the Solid Electrolyte Interphase an Extra-Charge Reservoir in Li-Ion Batteries? Rezvani, S. Javad; Gunnella, Roberto; Witkowska, Agnieszka ACS Applied Materials & Interfaces, Vol. 9, Issue 5 https://doi.org/10.1021/acsami.6b12408	journal	January 2017
Dispersion of Nanocrystalline Fe ₃ O ₄ within Composite Electrodes: Insights on Battery-Related Electrochemistry Bock, David C.; Pelliccione, Christopher J.; Zhang, Wei ACS Applied Materials & Interfaces, Vol. 8, Issue 18 https://doi.org/10.1021/acsami.6b01134	journal	April 2016
X-ray diffraction and EXAFS analysis of materials for lithium-based rechargeable batteries Sharkov, M. D.; Boiko, M. E.; Bobyl, A. V. Crystallography Reports, Vol. 58, Issue 7 https://doi.org/10.1134/S1063774513070171	journal	December 2013
Assignment of pre-edge peaks in K-edge x-ray absorption spectra of 3d transition metal compounds: electric dipole or quadrupole? Yamamoto, Takashi X-Ray Spectrometry, Vol. 37, Issue 6 https://doi.org/10.1002/xrs.1103	journal	November 2008
In situ X-ray absorption spectroscopy of transition metal based water oxidation catalysts van Oversteeg, Christina H. M.; Doan, Hoang Q.; de Groot, Frank M. F. Chemical Society Reviews, Vol. 46, Issue 1 https://doi.org/10.1039/C6CS00230G	journal	January 2017
A Multiplet Analysis of Fe K-Edge 1s → 3d Pre-Edge Features of Iron Complexes Westre, Tami E.; Kennepohl, Pierre; DeWitt, Jane G. Journal of the American Chemical Society, Vol. 119, Issue 27 https://doi.org/10.1021/ja964352a	journal	July 1997
Ab initio studies of the x-ray absorption edge in copper complexes. I. Atomic ${Cu}^{2 +}$ and Cu(ii) ${Cl}_{2}$ Bair, Raymond A.; Goddard, William A. Physical Review B, Vol. 22, Issue 6 https://doi.org/10.1103/PhysRevB.22.2767	journal	September 1980
K- and L-edge X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS) determination of differential orbital covalency (DOC) of transition metal sites Baker, Michael L.; Mara, Michael W.; Yan, James J. Coordination Chemistry Reviews, Vol. 345 https://doi.org/10.1016/j.ccr.2017.02.004	journal	August 2017
Oxidation state and coordination of Fe in minerals: An Fe K- XANES spectroscopic study Wilke, Max; Farges, François; Petit, Pierre-Emmanuel American Mineralogist, Vol. 86, Issue 5-6 https://doi.org/10.2138/am-2001-5-612	journal	May 2001
Observations and interpretation of x-ray absorption edges in iron compounds and proteins Shulman, G. R.; Yafet, Y.; Eisenberger, P. Proceedings of the National Academy of Sciences, Vol. 73, Issue 5 https://doi.org/10.1073/pnas.73.5.1384	journal	May 1976
X-ray absorption spectroscopy of iron-tyrosinate proteins Roe, A. L.; Schneider, D. J.; Mayer, R. J. Journal of the American Chemical Society, Vol. 106, Issue 6 https://doi.org/10.1021/ja00318a021	journal	March 1984
Determination of crystallite size in a magnetic nanocomposite using extended x-ray absorption fine structure Calvin, S.; Miller, M. M.; Goswami, R. Journal of Applied Physics, Vol. 94, Issue 1 https://doi.org/10.1063/1.1581344	journal	July 2003
Extended X-Ray—Absorption Fine Structure of Small Cu and Ni Clusters: Binding-Energy and Bond-Length Changes with Cluster Size Apai, G.; Hamilton, J. F.; Stohr, J. Physical Review Letters, Vol. 43, Issue 2 https://doi.org/10.1103/PhysRevLett.43.165	journal	July 1979
The effect of gold particle size on AuAu bond length and reactivity toward oxygen in supported catalysts Miller, J. T.; Kropf, A. J.; Zha, Y. Journal of Catalysis, Vol. 240, Issue 2 https://doi.org/10.1016/j.jcat.2006.04.004	journal	June 2006
Size-dependent lattice structure of palladium studied by x-ray absorption spectroscopy Lin, Chih-Ming; Hung, Tsu-Lien; Huang, Yen-Heng Physical Review B, Vol. 75, Issue 12 https://doi.org/10.1103/PhysRevB.75.125426	journal	March 2007
Investigations of binary lithium-zinc, lithium-cadmium and lithium-lead alloys as negative electrodes in organic solvent-based electrolyte Wang, J.; King, P.; Huggins, R. Solid State Ionics, Vol. 20, Issue 3 https://doi.org/10.1016/0167-2738(86)90212-2	journal	May 1986
Nanostructured Zn-based composite anodes for rechargeable Li-ion batteries Hwa, Yoon; Sung, Ji Hyun; Wang, Bin Journal of Materials Chemistry, Vol. 22, Issue 25 https://doi.org/10.1039/c2jm31776a	journal	January 2012
Study on the Electrochemical Reaction Mechanism of ZnFe2O4 by In Situ Transmission Electron Microscopy Su, Qingmei; Wang, Shixin; Yao, Libing Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep28197	journal	June 2016
Visualizing Battery Reactions and Processes by Using In Situ and In Operando Microscopies Wu, Yutong; Liu, Nian Chem, Vol. 4, Issue 3 https://doi.org/10.1016/j.chempr.2017.12.022	journal	March 2018
Investigation of Solid Electrolyte Interphase Layer Formation and Electrochemical Reversibility of Magnetite, Fe ₃ O ₄ , Electrodes: A Combined X-ray Absorption Spectroscopy and X-ray Photoelectron Spectroscopy Study Bock, David C.; Waller, Gordon H.; Mansour, Azzam N. The Journal of Physical Chemistry C, Vol. 122, Issue 26 https://doi.org/10.1021/acs.jpcc.8b01970	journal	May 2018
Energetics of Lithium Insertion into Magnetite, Defective Magnetite, and Maghemite Lininger, Christianna N.; Cama, Christina A.; Takeuchi, Kenneth J. Chemistry of Materials, Vol. 30, Issue 21 https://doi.org/10.1021/acs.chemmater.8b03544	journal	October 2018
Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides Shannon, R. D. Acta Crystallographica Section A, Vol. 32, Issue 5, p. 751-767 https://doi.org/10.1107/S0567739476001551	journal	September 1976
A Simple Method for the Calculation of Lattice Energies of Inorganic Ionic Crystals Based on the Chemical Hardness Kaya, Savaş; Kaya, Cemal Inorganic Chemistry, Vol. 54, Issue 17 https://doi.org/10.1021/acs.inorgchem.5b00383	journal	August 2015
Zinc-based spinel cathode materials for magnesium rechargeable batteries: toward the reversible spinel–rocksalt transition Shimokawa, Kohei; Atsumi, Taruto; Harada, Maho Journal of Materials Chemistry A, Vol. 7, Issue 19 https://doi.org/10.1039/C9TA02281C	journal	January 2019
Factors affecting Li mobility in spinel LiMn2O4—A first-principles study by GGA and GGA+U methods Xu, Bo; Meng, Shirley Journal of Power Sources, Vol. 195, Issue 15 https://doi.org/10.1016/j.jpowsour.2010.02.060	journal	August 2010
Electrochemical insertion of Li into nanocrystalline MnFe2O4: a study of the reaction mechanism Permien, Stefan; Hain, Holger; Scheuermann, Marco RSC Advances, Vol. 3, Issue 45 https://doi.org/10.1039/c3ra44383c	journal	January 2013
Equilibria and Rate Phenomena from Atomistic to Mesoscale: Simulation Studies of Magnetite Lininger, Christianna N.; Brady, Nicholas W.; West, Alan C. Accounts of Chemical Research, Vol. 51, Issue 3 https://doi.org/10.1021/acs.accounts.7b00531	journal	March 2018
Modeling the Mesoscale Transport of Lithium-Magnetite Electrodes Using Insight from Discharge and Voltage Recovery Experiments Knehr, K. W.; Brady, Nicholas W.; Cama, Christina A. Journal of The Electrochemical Society, Vol. 162, Issue 14 https://doi.org/10.1149/2.0961514jes	journal	January 2015
Mesoscale Transport in Magnetite Electrodes for Lithium-Ion Batteries Knehr, K. W.; Brady, N. W.; Lininger, C. N. ECS Transactions, Vol. 69, Issue 1 https://doi.org/10.1149/06901.0007ecst	journal	September 2015

Similar Records

Probing the Li Insertion Mechanism of ZnFe₂O₄ in Li-Ion Batteries: A Combined X-Ray Diffraction, Extended X-Ray Absorption Fine Structure, and Density Functional Theory Study [Probing the Li insertion mechanism of ZnFe₂O₄ in Li ion batteries: A combined XRD, EXAFS, and DFT study]

Journal Article · Mon Apr 24 00:00:00 EDT 2017 · Chemistry of Materials · OSTI ID:1749901

Zhang, Yiman; Pelliccione, Christopher J.; Brady, Alexander B.; +6 more

A first principles study of spinel ZnFe₂O₄ for electrode materials in lithium-ion batteries

Journal Article · Wed Sep 06 00:00:00 EDT 2017 · Physical Chemistry Chemical Physics. PCCP · OSTI ID:1749901

Guo, Haoyue; Zhang, Yiman; Marschilok, Amy C.; +3 more

Correlation between structural features and vis-NIR spectra of {alpha}-Fe{sub 2}O{sub 3} hematite and AFe{sub 2}O{sub 4} spinel oxides (A=Mg, Zn)

Journal Article · Thu May 15 00:00:00 EDT 2008 · Journal of Solid State Chemistry · OSTI ID:1749901

Pailhe, N; Wattiaux, A; Demourgues, A

Related Subjects

25 ENERGY STORAGE

Title: (De)lithiation of spinel ferrites Fe3O4, MgFe2O4, and ZnFe2O4: a combined spectroscopic, diffraction and theory study

Citation Formats

References (71)

Similar Records

Related Subjects

Title: (De)lithiation of spinel ferrites Fe₃O₄, MgFe₂O₄, and ZnFe₂O₄: a combined spectroscopic, diffraction and theory study