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RESEARCH PAPER · Chemistry of Materials · 2015

Reversible Magnesium Intercalation into a Layered Oxyfluoride Cathode

Jared T. Incorvati, Liwen F. Wan, Baris Key, Dehua Zhou, Chen Liao, Lindsay Fuoco, Michael Holland, Hao Wang, David Prendergast, Kenneth Reinhard Poeppelmeier, John T. Vaughey

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Reversible Magnesium Intercalation into a Layered Oxyfluoride CathodeOriginalAdvanced hybrid battery with a magnesium metal anode and a spinel LiMn 2 O 4 cathode52Concentration dependent electrochemical properties and structural analysis of a simple magnesium electrolyte: magnesium bis(trifluoromethane sulfonyl)imide in diglyme89Impact of intermediate sites on bulk diffusion barriers: Mg intercalation in Mg 2 Mo 3 O 834Ionic liquid-based electrolytes for “beyond lithium” battery technologies214ChemInform Abstract: Reversible Magnesium Intercalation into a Layered Oxyfluoride Cathode.0Polyanthraquinone‐Based Organic Cathode for High‐Performance Rechargeable Magnesium‐Ion Batteries287Building a Fast Lane for Mg Diffusion in α-MoO3 by Fluorine Doping77Assessing exchange-correlation functional performance for structure and property predictions of oxyfluoride compounds from first principles32Interlayer‐Expanded Vanadium Oxychloride as an Electrode Material for Magnesium‐Based Batteries23Odyssey of Multivalent Cathode Materials: Open Questions and Future Challenges1168LaSrMnO4: Reversible Electrochemical Intercalation of Fluoride Ions in the Context of Fluoride Ion Batteries155Synthesis, Structure and Electrochemistry of Positive Electrode Materials for Rechargeable Magnesium and Lithium Ion Batteries: Mechanistic Investigations0Unraveling the Magnesium-Ion Intercalation Mechanism in Vanadium Pentoxide in a Wet Organic Electrolyte by Structural Determination78The Proton Trap Technology—Toward High Potential Quinone‐Based Organic Energy Storage28Reversible S 0 /MgS x Redox Chemistry in a MgTFSI 2 /MgCl 2 /DME Electrolyte for Rechargeable Mg/S Batteries197Reversible S0/MgSx Redox Chemistry in a MgTFSI2/MgCl2/DME Electrolyte for Rechargeable Mg/S Batteries71Ion-Pair Dissociation on α-MoO3 Surfaces: Focus on the Electrolyte–Cathode Compatibility Issue in Mg Batteries30A critical review of cathodes for rechargeable Mg batteries598Reversible Mg-Ion Insertion in a Metastable One-Dimensional Polymorph of V2O5187Expanding frontiers in materials chemistry and physics with multiple anions931Existence of Solid Electrolyte Interphase in Mg Batteries: Mg/S Chemistry as an Example142Structural Diversity from Anion Order in Heteroanionic Materials53A Stable, Narrow-Gap Oxyfluoride Photocatalyst for Visible-Light Hydrogen Evolution and Carbon Dioxide Reduction171Ammonium Vanadium Bronze (NH 4 V 4 O 10 ) as a High-Capacity Cathode Material for Nonaqueous Magnesium-Ion Batteries163Highly Branched VS 4 Nanodendrites with 1D Atomic‐Chain Structure as a Promising Cathode Material for Long‐Cycling Magnesium Batteries258Synthesis and Characterization of MgCr2S4 Thiospinel as a Potential Magnesium Cathode76Light Absorption Properties and Electronic Band Structures of Lead Titanium Oxyfluoride Photocatalysts Pb 2 Ti 4 O 9 F 2 and Pb 2 Ti 2 O 5.4 F 1.238Exploring the high-voltage Mg 2+ /Na + co-intercalation reaction of Na 3 VCr(PO 4 ) 3 in Mg-ion batteries38Interplay between Composition, Electronic Structure, Disorder, and Doping due to Dual Sublattice Mixing in Nonequilibrium Synthesis of ZnSnN2:O48Effect of Fluoride Doping on Lithium Diffusivity in Layered Molybdenum Oxide14Microstructure Characteristics of Cathode Materials for Rechargeable Magnesium Batteries65Heteroanionic Materials by Design: Progress Toward Targeted Properties236Direct observation of MgO formation at cathode electrolyte interface of a spinel MgCo2O4 cathode upon electrochemical Mg removal and insertion12Low Dimensional Magnetic Lattice and Room Temperature Magneto(di)electric Effect in Polyanion Ruddlesden–Popper Iron Oxides0Redox-active polymers (redoxmers) for electrochemical energy storage10Solar-Driven Photoelectrochemical Water Oxidation over an n-Type Lead–Titanium Oxyfluoride Anode51Recent Progress on Layered Cathode Materials for Nonaqueous Rechargeable Magnesium Batteries82Oxyfluoride Pb2Ti4O9F2 as a Stable Anode Material for Photoelectrochemical Water Oxidation20Advances in rechargeable Mg batteries150Crystal regulation towards rechargeable magnesium battery cathode materials103A Simple Halogen-Free Magnesium Electrolyte for Reversible Magnesium Deposition through Cosolvent Assistance69Recent Advances in the Rational Design and Synthesis of Two‐Dimensional Materials for Multivalent Ion Batteries38Periodic Tendril Perversion and Helices in the AMoO2F3 (A = K, Rb, NH4, Tl) Family44Recent Advances in Rechargeable Magnesium‐Based Batteries for High‐Efficiency Energy Storage243Joint Cationic and Anionic Redox Chemistry for Advanced Mg Batteries42Theoretical Description, Synthesis, and Structural Characterization of β-Na0.33V2O5and Its Fluorinated Derivative β-Na0.33V2O4.67F0.33: Influence of Oxygen Substitution by Fluorine on the Electrochemical Properties8Boosting magnesium storage in MoS 2 via a 1T phase introduction and interlayer expansion strategy: theoretical prediction and experimental verification10Crystal defect modulation in cathode materials for non-lithium ion batteries: Progress and challenges110Through the Maze of Multivalent‐Ion Batteries: A Critical Review on the Status of the Research on Cathode Materials for Mg 2+ and Ca 2+ Ions Insertion49Fluoridation of HfO27The Quest for Functional Oxide Cathodes for Magnesium Batteries: A Critical Perspective77Amorphous Redox-Rich Polysulfides for Mg Cathodes38Development and challenges of electrode materials for rechargeable Mg batteries60Ab initio investigations on metal ion pre-intercalation strategy of layered V2O5 cathode for magnesium-ion batteries23First-principles prediction of layered MoO 2 and MoOSe as promising cathode materials for magnesium ion batteries7Recent advancements in development of different cathode materials for rechargeable lithium ion batteries109Non-layer-transformed Mn3O4 cathode unlocks optimal aqueous magnesium-ion storage via synergizing amorphous ion channels and grain refinement43Advancing towards a Practical Magnesium Ion Battery48Nonaqueous rechargeable aluminum batteries168Lithiation and Magnesiation Mechanism of VOCl: First-Principles Moleculardynamics Simulation5Defect engineering in molybdenum-based electrode materials for energy storage169Recent advances in kinetic optimizations of cathode materials for rechargeable magnesium batteries56Tug-of-War in the Selection of Materials for Battery Technologies19First principle study of benzoquinone based microporous conjugated polymers as cathode materials for high-performance magnesium ion batteries21Basal Planes Unlocking and Interlayer Engineering Endows Proton Doped-MoO2.8F0.2 with Fast and Stable Magnesium Storage46New perspectives on the multianion approach to adapt electrode materials for lithium and post-lithium batteries9Intercalation Reaction of Molybdenum Trioxide Cathode for Rechargeable Ion Batteries11Layered Materials in the Magnesium Ion Batteries: Development History, Materials Structure, and Energy Storage Mechanism24Novel layered iron vanadate as a stable high-voltage cathode material for nonaqueous magnesium-ion batteries19Magnesium Ions Storage in Molybdenum Oxide Structures Examined as a Promising Cathode Material for Rechargeable Magnesium Batteries19Structural modeling of oxygen-fluorine ordering in transition metal inorganic oxyfluorides0Ab Initio Investigations on the Potential Application of Non-Toxic Moopo4 as an Electrode Material for Magnesium Batteries0Chemical perspectives on heteroanionic compounds: a potential playground for multiferroics7Pure Fluorine Intercalation into Brownmillerite Oxide Thin Films by Using Ionic Liquid Gating4References0Electron-injection-engineering induced dual-phase MoO2.8F0.2/MoO2.4F0.6 heterostructure for magnesium storage11Lone Pair Induced 1D Character and Weak Cation–Anion Interactions: Two Ingredients for Low Thermal Conductivity in Mixed-Anion Metal Chalcohalide CuBiSCl237Different magnitudes of second-order Jahn-Teller effect in isostructural NaMO2F2 (M = Nb, Ta) oxyfluorides4Enabling high-performance multivalent metal-ion batteries: current advances and future prospects149Influence of anion ordering on defect diffusion anisotropy in layered perovskite Sr 2 TaO 3 N: implications for oxynitride stability2Advanced cathode for synergistic anion-cation redox reactions in magnesium-ion batteries — A pathway to fast diffusion/reaction kinetics12Defective CdPS3 as anode materials with enhanced performance for magnesium ion batteries1First-Principles Approach to Assess the Viability of MoOPO4 as an Electrode Material for Mg-Ion Batteries2V3O7·H2O as a Cathode Material for Aqueous Mg2+/Na+ Hybrid Electrochemical Cells2P2-Type Mn-Based Oxide Cathode for Chlorine-Free Mg–Na Hybrid Battery Devices8Computational investigation of ternary Mg–Co–B compounds as cathode materials for Mg-ion batteries0Aqueous Magnesium-Ion Battery Anode with 75,000 Cycles Lifespan7

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  1. Advanced hybrid battery with a magnesium metal anode and a spinel LiMn 2 O 4 cathode

    Chemical Communications · 2016-01-01

    Baofei Pan, Zhenxing Feng, Niya Sa, Sang‐Don Han, Qing Ma, Paul Fenter, John T. Vaughey, Zhengcheng Zhang, Chen Liao

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  2. Concentration dependent electrochemical properties and structural analysis of a simple magnesium electrolyte: magnesium bis(trifluoromethane sulfonyl)imide in diglyme

    RSC Advances · 2016-01-01

    Niya Sa, Nav Nidhi Rajput, Hao Wang, Baris Key, Magali S. Ferrandon, Venkat N. Srinivasan, Kristin Aslaug Persson, Anthony K. Burrell, John T. Vaughey

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  3. Impact of intermediate sites on bulk diffusion barriers: Mg intercalation in Mg 2 Mo 3 O 8

    Journal of Materials Chemistry A · 2016-01-01

    Gopalakrishnan Sai Gautam, Xiaoqi Sun, Victor Duffort, Linda F. Nazar, Gerbrand Ceder

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  4. Ionic liquid-based electrolytes for “beyond lithium” battery technologies

    Journal of Materials Chemistry A · 2016-01-01

    Guinevere A. Giffin

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  5. ChemInform Abstract: Reversible Magnesium Intercalation into a Layered Oxyfluoride Cathode.

    ChemInform · 2016-03-01

    John T. Vaughey, et al.

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  6. Polyanthraquinone‐Based Organic Cathode for High‐Performance Rechargeable Magnesium‐Ion Batteries

    Advanced Energy Materials · 2016-05-09

    Baofei Pan, Jinhua Huang, Zhenxing Feng, Li Zeng, Meinan He, Lu Zhang, John T. Vaughey, Michael J. Bedzyk, Paul Fenter, Zhengcheng Zhang, Anthony K. Burrell, Chen Liao

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  7. Building a Fast Lane for Mg Diffusion in α-MoO3 by Fluorine Doping

    Chemistry of Materials · 2016-09-13

    Liwen F. Wan, Jared T. Incorvati, Kenneth Reinhard Poeppelmeier, David Prendergast

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  8. Assessing exchange-correlation functional performance for structure and property predictions of oxyfluoride compounds from first principles

    Physical review. B./Physical review. B · 2016-11-16

    Nenian Charles, James M. Rondinelli

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  9. Interlayer‐Expanded Vanadium Oxychloride as an Electrode Material for Magnesium‐Based Batteries

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    Christian Bonatto Minella, Ping Gao, Zhirong Zhao‐Karger, Xiaoke Mu, Thomas Diemant, Maxim Pfeifer, Venkata Sai Kiran Chakravadhanula, R. Jürgen Behm, Maximilian Fichtner

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  10. Odyssey of Multivalent Cathode Materials: Open Questions and Future Challenges

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  11. LaSrMnO4: Reversible Electrochemical Intercalation of Fluoride Ions in the Context of Fluoride Ion Batteries

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  12. Synthesis, Structure and Electrochemistry of Positive Electrode Materials for Rechargeable Magnesium and Lithium Ion Batteries: Mechanistic Investigations

    UWSpace (University of Waterloo) · 2017-05-12

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  13. Unraveling the Magnesium-Ion Intercalation Mechanism in Vanadium Pentoxide in a Wet Organic Electrolyte by Structural Determination

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    Sung‐Chul Lim, Jinhee Lee, Hunho H. Kwak, Jongwook W. Heo, Munseok S. Chae, Docheon Ahn, Yun Hee Jang, Hochun Lee, Seung‐Tae Hong

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  14. The Proton Trap Technology—Toward High Potential Quinone‐Based Organic Energy Storage

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  15. Reversible S 0 /MgS x Redox Chemistry in a MgTFSI 2 /MgCl 2 /DME Electrolyte for Rechargeable Mg/S Batteries

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  16. Reversible S0/MgSx Redox Chemistry in a MgTFSI2/MgCl2/DME Electrolyte for Rechargeable Mg/S Batteries

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  17. Ion-Pair Dissociation on α-MoO3 Surfaces: Focus on the Electrolyte–Cathode Compatibility Issue in Mg Batteries

    The Journal of Physical Chemistry C · 2017-12-07

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  18. A critical review of cathodes for rechargeable Mg batteries

    Chemical Society Reviews · 2018-01-01

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  19. Reversible Mg-Ion Insertion in a Metastable One-Dimensional Polymorph of V2O5

    Chem · 2018-02-02

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  20. Expanding frontiers in materials chemistry and physics with multiple anions

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  21. Existence of Solid Electrolyte Interphase in Mg Batteries: Mg/S Chemistry as an Example

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  22. Structural Diversity from Anion Order in Heteroanionic Materials

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  23. A Stable, Narrow-Gap Oxyfluoride Photocatalyst for Visible-Light Hydrogen Evolution and Carbon Dioxide Reduction

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  24. Ammonium Vanadium Bronze (NH 4 V 4 O 10 ) as a High-Capacity Cathode Material for Nonaqueous Magnesium-Ion Batteries

    Chemistry of Materials · 2018-05-10

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  25. Highly Branched VS 4 Nanodendrites with 1D Atomic‐Chain Structure as a Promising Cathode Material for Long‐Cycling Magnesium Batteries

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  26. Synthesis and Characterization of MgCr2S4 Thiospinel as a Potential Magnesium Cathode

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  27. Light Absorption Properties and Electronic Band Structures of Lead Titanium Oxyfluoride Photocatalysts Pb 2 Ti 4 O 9 F 2 and Pb 2 Ti 2 O 5.4 F 1.2

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  28. Exploring the high-voltage Mg 2+ /Na + co-intercalation reaction of Na 3 VCr(PO 4 ) 3 in Mg-ion batteries

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  29. Interplay between Composition, Electronic Structure, Disorder, and Doping due to Dual Sublattice Mixing in Nonequilibrium Synthesis of ZnSnN2:O

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  30. Effect of Fluoride Doping on Lithium Diffusivity in Layered Molybdenum Oxide

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  31. Microstructure Characteristics of Cathode Materials for Rechargeable Magnesium Batteries

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  32. Heteroanionic Materials by Design: Progress Toward Targeted Properties

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  33. Direct observation of MgO formation at cathode electrolyte interface of a spinel MgCo2O4 cathode upon electrochemical Mg removal and insertion

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  34. Low Dimensional Magnetic Lattice and Room Temperature Magneto(di)electric Effect in Polyanion Ruddlesden–Popper Iron Oxides

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  35. Redox-active polymers (redoxmers) for electrochemical energy storage

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  36. Solar-Driven Photoelectrochemical Water Oxidation over an n-Type Lead–Titanium Oxyfluoride Anode

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  37. Recent Progress on Layered Cathode Materials for Nonaqueous Rechargeable Magnesium Batteries

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  38. Oxyfluoride Pb2Ti4O9F2 as a Stable Anode Material for Photoelectrochemical Water Oxidation

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  39. Advances in rechargeable Mg batteries

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  40. Crystal regulation towards rechargeable magnesium battery cathode materials

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  41. A Simple Halogen-Free Magnesium Electrolyte for Reversible Magnesium Deposition through Cosolvent Assistance

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  42. Recent Advances in the Rational Design and Synthesis of Two‐Dimensional Materials for Multivalent Ion Batteries

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  43. Periodic Tendril Perversion and Helices in the AMoO2F3 (A = K, Rb, NH4, Tl) Family

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  44. Recent Advances in Rechargeable Magnesium‐Based Batteries for High‐Efficiency Energy Storage

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  45. Joint Cationic and Anionic Redox Chemistry for Advanced Mg Batteries

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  46. Theoretical Description, Synthesis, and Structural Characterization of β-Na0.33V2O5and Its Fluorinated Derivative β-Na0.33V2O4.67F0.33: Influence of Oxygen Substitution by Fluorine on the Electrochemical Properties

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  47. Boosting magnesium storage in MoS 2 via a 1T phase introduction and interlayer expansion strategy: theoretical prediction and experimental verification

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  48. Crystal defect modulation in cathode materials for non-lithium ion batteries: Progress and challenges

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  49. Through the Maze of Multivalent‐Ion Batteries: A Critical Review on the Status of the Research on Cathode Materials for Mg 2+ and Ca 2+ Ions Insertion

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  50. Fluoridation of HfO2

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