Probing reaction processes and reversibility in Earth-abundant Na[subscript 3]FeF[subscript 6] for N

Foley, Emily E.; Wong, Anthony; Vincent, Rebecca C.; Manche, Alexis; Zaveri, Aryan; Gonzalez-Correa, Eliovardo; Menard, Gabriel; Clement, Raphaele J.

doi:10.1039/D1CP02763H

Probing reaction processes and reversibility in Earth-abundant Na[subscript 3]FeF[subscript 6] for N

Journal Article · 01 January 2021 · Phys. Chem. Chem. Phys.

DOI:https://doi.org/10.1039/D1CP02763H· OSTI ID:1823129

Foley, Emily E.; Wong, Anthony; Vincent, Rebecca C.; Manche, Alexis; Zaveri, Aryan; Gonzalez-Correa, Eliovardo; Menard, Gabriel; Clement, Raphaele J.

Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Organization:: DOE - Office Of Science; National Science Foundation (NSF)

OSTI ID:: 1823129

Journal Information:: Phys. Chem. Chem. Phys., Vol. 23, Issue (36)

Country of Publication:: United States

Language:: ENGLISH

References (50)

Li-ion battery materials: present and future Nitta, Naoki; Wu, Feixiang; Lee, Jung Tae Materials Today, Vol. 18, Issue 5 https://doi.org/10.1016/j.mattod.2014.10.040	journal	June 2015
Review—Practical Issues and Future Perspective for Na-Ion Batteries Kubota, Kei; Komaba, Shinichi Journal of The Electrochemical Society, Vol. 162, Issue 14 https://doi.org/10.1149/2.0151514jes	journal	January 2015
Layered Na-Ion Cathodes with Outstanding Performance Resulting from the Synergetic Effect of Mixed P- and O-Type Phases Keller, Marlou; Buchholz, Daniel; Passerini, Stefano Advanced Energy Materials, Vol. 6, Issue 3 https://doi.org/10.1002/aenm.201501555	journal	November 2015
Comprehensive Investigation of the Na ₃ V ₂ (PO ₄ ) ₂ F ₃ –NaV ₂ (PO ₄ ) ₂ F ₃ System by Operando High Resolution Synchrotron X-ray Diffraction Bianchini, M.; Fauth, F.; Brisset, N. Chemistry of Materials, Vol. 27, Issue 8 https://doi.org/10.1021/acs.chemmater.5b00361	journal	April 2015
S-doped porous carbon confined SnS nanospheres with enhanced electrochemical performance for sodium-ion batteries Wang, Yaping; Zhang, Yifang; Shi, Junrong Journal of Materials Chemistry A, Vol. 6, Issue 37 https://doi.org/10.1039/C8TA06106H	journal	January 2018
Na-Excess Cation-Disordered Rocksalt Oxide: Na _1.3 Nb _0.3 Mn _0.4 O ₂ Sato, Kei; Nakayama, Masanobu; Glushenkov, Alexey M. Chemistry of Materials, Vol. 29, Issue 12 https://doi.org/10.1021/acs.chemmater.7b00172	journal	May 2017
Metastable and nanosize cation-disordered rocksalt-type oxides: revisit of stoichiometric LiMnO ₂ and NaMnO ₂ Sato, Takahito; Sato, Kei; Zhao, Wenwen Journal of Materials Chemistry A, Vol. 6, Issue 28 https://doi.org/10.1039/C8TA03667E	journal	January 2018
Na ₂ Fe ₂ F ₇ : a fluoride-based cathode for high power and long life Na-ion batteries Park, Hyunyoung; Lee, Yongseok; Cho, Min-kyung Energy & Environmental Science, Vol. 14, Issue 3 https://doi.org/10.1039/D0EE02803G	journal	January 2021
Unlocking the potential of weberite-type metal fluorides in electrochemical energy storage Euchner, Holger; Clemens, Oliver; Reddy, M. Anji npj Computational Materials, Vol. 5, Issue 1 https://doi.org/10.1038/s41524-019-0166-3	journal	March 2019
Revisiting metal fluorides as lithium-ion battery cathodes Hua, Xiao; Eggeman, Alexander S.; Castillo-Martínez, Elizabeth Nature Materials, Vol. 20, Issue 6 https://doi.org/10.1038/s41563-020-00893-1	journal	January 2021
First-Principles Investigation of the Li−Fe−F Phase Diagram and Equilibrium and Nonequilibrium Conversion Reactions of Iron Fluorides with Lithium Doe, Robert E.; Persson, Kristin A.; Meng, Y. Shirley Chemistry of Materials, Vol. 20, Issue 16 https://doi.org/10.1021/cm801105p	journal	August 2008
First-principles study of iron oxyfluorides and lithiation of FeOF Chevrier, Vincent L.; Hautier, Geoffroy; Ong, Shyue Ping Physical Review B, Vol. 87, Issue 9 https://doi.org/10.1103/PhysRevB.87.094118	journal	March 2013
Mechanochemical synthesis and electrochemical behavior of Na3FeF6 in sodium and lithium batteries Shakoor, R. A.; Lim, Soo Yeon; Kim, Hyungsub Solid State Ionics, Vol. 218 https://doi.org/10.1016/j.ssi.2012.05.002	journal	June 2012
Room-temperature liquid-phase synthesis of Na ₃ FeF ₆ and its lithium/sodium storage properties Guo, Hanxiang; Liu, Wanmin; Qin, Mulan Materials Research Express, Vol. 6, Issue 8 https://doi.org/10.1088/2053-1591/ab1c0f	journal	May 2019
Successive synthesis and electrochemical properties of Na3FeF6 and NaFeF3/C cathode materials for lithium-ion and sodium-ion batteries Liu, Wanmin; Wang, Weigang; Qin, Mulan Ceramics International, Vol. 46, Issue 8 https://doi.org/10.1016/j.ceramint.2020.01.059	journal	June 2020
Protocols for High Temperature Assisted-Microwave Preparation of Inorganic Compounds Levin, Emily E.; Grebenkemper, Jason H.; Pollock, Tresa M. Chemistry of Materials, Vol. 31, Issue 18 https://doi.org/10.1021/acs.chemmater.9b02594	journal	August 2019
Carbon-Metal Fluoride Nanocomposites: Structure and Electrochemistry of FeF₃ : C Badway, F.; Pereira, N.; Cosandey, F. Journal of The Electrochemical Society, Vol. 150, Issue 9, p. A1209-A1218 https://doi.org/10.1149/1.1596162	journal	January 2003
Short-Range Order and Unusual Modes of Nickel Redox in a Fluorine-Substituted Disordered Rocksalt Oxide Lithium-Ion Cathode Clément, Raphaële J.; Kitchaev, Daniil; Lee, Jinhyuk Chemistry of Materials, Vol. 30, Issue 19 https://doi.org/10.1021/acs.chemmater.8b03794	journal	September 2018
Fifty Years of Mössbauer Spectroscopy in Solid State Research - Remarkable Achievements, Future Perspectives Gütlich, Philipp Zeitschrift für anorganische und allgemeine Chemie, Vol. 638, Issue 1 https://doi.org/10.1002/zaac.201100416	journal	December 2011
Les hexafluoferrites M3FeF6 (M = Li, Na, K, Rb, Cs, Ag, Tl, NH4): Etude radiocristallographique, spectroscopique et magnetique Tressaud, Alain; Portier, Josik; Shearer-Turrell, Sylvia Journal of Inorganic and Nuclear Chemistry, Vol. 32, Issue 7 https://doi.org/10.1016/0022-1902(70)80495-X	journal	July 1970
Cathode performance and voltage estimation of metal trihalides Arai, Hajime; Okada, Shigeto; Sakurai, Yoji Journal of Power Sources, Vol. 68, Issue 2 https://doi.org/10.1016/S0378-7753(96)02580-3	journal	October 1997
Nanocrystalline FeF ₃ and MF ₂ (M = Fe, Co, and Mn) from metal trifluoroacetates and their Li(Na)-ion storage properties Guntlin, Christoph P.; Zünd, Tanja; Kravchyk, Kostiantyn V. Journal of Materials Chemistry A, Vol. 5, Issue 16 https://doi.org/10.1039/C7TA00862G	journal	January 2017
Operando electron magnetic measurements of Li-ion batteries Gershinsky, Gregory; Bar, Elad; Monconduit, Laure Energy Environ. Sci., Vol. 7, Issue 6 https://doi.org/10.1039/C4EE00490F	journal	January 2014
Comprehensive Insights into the Structural and Chemical Changes in Mixed-Anion FeOF Electrodes by Using Operando PDF and NMR Spectroscopy Wiaderek, Kamila M.; Borkiewicz, Olaf J.; Castillo-Martínez, Elizabeth Journal of the American Chemical Society, Vol. 135, Issue 10 https://doi.org/10.1021/ja400229v	journal	March 2013
Electrode/Electrolyte Interface Studies in Lithium Batteries Using NMR Dupre, N.; Cuisinier, M.; Guyomard, D. Interface magazine, Vol. 20, Issue 3 https://doi.org/10.1149/2.F06113if	journal	January 2011
Reversible Capacity of Conductive Carbon Additives at Low Potentials: Caveats for Testing Alternative Anode Materials for Li-Ion Batteries See, Kimberly A.; Lumley, Margaret A.; Stucky, Galen D. Journal of The Electrochemical Society, Vol. 164, Issue 2 https://doi.org/10.1149/2.0971702jes	journal	December 2016
Mechanistic insights into sodium storage in hard carbon anodes using local structure probes Stratford, Joshua M.; Allan, Phoebe K.; Pecher, Oliver Chemical Communications, Vol. 52, Issue 84 https://doi.org/10.1039/C6CC06990H	journal	January 2016
Study of sodium manganese fluorides as positive electrodes for Na-ion batteries Nava-Avendaño, Jessica; Arroyo-de Dompablo, M. Elena; Frontera, Carlos Solid State Ionics, Vol. 278 https://doi.org/10.1016/j.ssi.2015.05.023	journal	October 2015
Transition metal NaMF3 compounds as model systems for studying the feasibility of ternary Li-M-F and Na-M-F single phases as cathodes for lithium–ion and sodium–ion batteries Dimov, Nikolay; Nishimura, Akihiro; Chihara, Kuniko Electrochimica Acta, Vol. 110 https://doi.org/10.1016/j.electacta.2013.05.103	journal	November 2013
Effects of Relaxation on Conversion Negative Electrode Materials for Li-Ion Batteries: A Study of TiSnSb Using ¹¹⁹ Sn Mössbauer and ⁷ Li MAS NMR Spectroscopies Johnston, Karen E.; Sougrati, Moulay T.; Stievano, Lorenzo Chemistry of Materials, Vol. 28, Issue 11 https://doi.org/10.1021/acs.chemmater.6b01502	journal	May 2016
Mössbauer study of ultrafine FeF2 particles Haneda, K.; Zhou, X. Z.; Morrish, A. H. Hyperfine Interactions, Vol. 54, Issue 1-4 https://doi.org/10.1007/BF02396088	journal	July 1990
Investigation of nanocrystalline FeF2 by Mössbauer spectroscopy Ramasamy, S.; Jiang, J.; Gleiter, H. Solid State Communications, Vol. 74, Issue 8 https://doi.org/10.1016/0038-1098(90)90949-C	journal	May 1990
Sodiation via Heterogeneous Disproportionation in FeF ₂ Electrodes for Sodium-Ion Batteries He, Kai; Zhou, Yongning; Gao, Peng ACS Nano, Vol. 8, Issue 7 https://doi.org/10.1021/nn502284y	journal	June 2014
Extreme-Ultraviolet Spectra of Ionic Crystals Brown, Frederick C.; Gähwiller, Christian; Fujita, Hiizu Physical Review B, Vol. 2, Issue 6 https://doi.org/10.1103/PhysRevB.2.2126	journal	September 1970
The electron energy loss spectra of some alkali halides in the band gap region Roy, G.; Singh, G.; Gallon, T. E. Surface Science, Vol. 152-153 https://doi.org/10.1016/0039-6028(85)90519-9	journal	April 1985
First-Principles Analysis of Defect Thermodynamics and Ion Transport in Inorganic SEI Compounds: LiF and NaF Yildirim, Handan; Kinaci, Alper; Chan, Maria K. Y. ACS Applied Materials & Interfaces, Vol. 7, Issue 34 https://doi.org/10.1021/acsami.5b02904	journal	August 2015
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
Isotropic High Field NMR Spectra of Li-Ion Battery Materials with Anisotropy >1 MHz Hung, Ivan; Zhou, Lina; Pourpoint, Frédérique Journal of the American Chemical Society, Vol. 134, Issue 4 https://doi.org/10.1021/ja209600m	journal	January 2012
MossA : a program for analyzing energy-domain Mössbauer spectra from conventional and synchrotron sources Prescher, Clemens; McCammon, Catherine; Dubrovinsky, Leonid Journal of Applied Crystallography, Vol. 45, Issue 2 https://doi.org/10.1107/S0021889812004979	journal	March 2012
Excitonic Effects in Core-Hole Screening van Attekum, P. M. Th. M.; Wertheim, G. K. Physical Review Letters, Vol. 43, Issue 25 https://doi.org/10.1103/PhysRevLett.43.1896	journal	December 1979
A new mixing of Hartree–Fock and local density‐functional theories Becke, Axel D. The Journal of Chemical Physics, Vol. 98, Issue 2 https://doi.org/10.1063/1.464304	journal	January 1993
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density Lee, Chengteh; Yang, Weitao; Parr, Robert G. Physical Review B, Vol. 37, Issue 2 https://doi.org/10.1103/PhysRevB.37.785	journal	January 1988
Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis Vosko, S. H.; Wilk, L.; Nusair, M. Canadian Journal of Physics, Vol. 58, Issue 8 https://doi.org/10.1139/p80-159	journal	August 1980
On the prediction of band gaps from hybrid functional theory Muscat, J.; Wander, A.; Harrison, N. M. Chemical Physics Letters, Vol. 342, Issue 3-4 https://doi.org/10.1016/S0009-2614(01)00616-9	journal	July 2001
Magnetic coupling constants from a hybrid density functional with 35% Hartree-Fock exchange Feng, Xiaobing; Harrison, N. M. Physical Review B, Vol. 70, Issue 9 https://doi.org/10.1103/PhysRevB.70.092402	journal	September 2004
EPR studies of the effect of Zn 2 + ion impurities in phase transition of CaCd ( CH 3 COO ) 4 ⋅ 6 H 2 O crystals De, Dilip K. Physical Review B, Vol. 65, Issue 17 https://doi.org/10.1103/PhysRevB.65.174414	journal	April 2002
Linking Local Environments and Hyperfine Shifts: A Combined Experimental and Theoretical ³¹ P and ⁷ Li Solid-State NMR Study of Paramagnetic Fe(III) Phosphates Kim, Jongsik; Middlemiss, Derek S.; Chernova, Natasha A. Journal of the American Chemical Society, Vol. 132, Issue 47 https://doi.org/10.1021/ja102678r	journal	December 2010
Density Functional Theory-Based Bond Pathway Decompositions of Hyperfine Shifts: Equipping Solid-State NMR to Characterize Atomic Environments in Paramagnetic Materials Middlemiss, Derek S.; Ilott, Andrew J.; Clément, Raphaële J. Chemistry of Materials, Vol. 25, Issue 9 https://doi.org/10.1021/cm400201t	journal	April 2013
Fully optimized contracted Gaussian basis sets for atoms Li to Kr Schäfer, Ansgar; Horn, Hans; Ahlrichs, Reinhart The Journal of Chemical Physics, Vol. 97, Issue 4 https://doi.org/10.1063/1.463096	journal	August 1992
Special points for Brillouin-zone integrations Monkhorst, Hendrik J.; Pack, James D. Physical Review B, Vol. 13, Issue 12, p. 5188-5192 https://doi.org/10.1103/PhysRevB.13.5188	journal	June 1976

Similar Records

Probing reaction processes and reversibility in Earth-abundant Na ₃ FeF ₆ for Na-ion batteries

Journal Article · 2021 · Physical Chemistry Chemical Physics. PCCP · OSTI ID:1806231

Foley, Emily E.; Wong, Anthony; Vincent, Rebecca C.; +5 more

High-pressure Na[subscript 3](N[subscript 2])[subscript 4], Ca[subscript 3](N[subscript 2])[subscrip

Journal Article · 2022 · Phys. Rev. Mater. · OSTI ID:1845481

Laniel, Dominique; Winkler, Bjoern; Fedotenko, Timofey; +12 more

Probing reaction processes and reversibility in Earth-abundant Na[subscript 3]FeF[subscript 6] for N

Citation Formats

References (50)

Similar Records

Related Subjects