Reaching the Energy Density Limit of Layered O3‐NaNi 0.5 Mn 0.5 O 2 Electrodes via Dual Cu and Ti Substitution

Wang, Qing; Mariyappan, Sathiya; Vergnet, Jean; Abakumov, Artem M.; Rousse, Gwenaëlle; Rabuel, François; Chakir, Mohamed; Tarascon, Jean‐Marie

doi:10.1002/aenm.201901785

Title: Reaching the Energy Density Limit of Layered O3‐NaNi _0.5 Mn _0.5 O ₂ Electrodes via Dual Cu and Ti Substitution

Abstract

Abstract Although being less competitive energy density‐wise, Na‐ion batteries are serious alternatives to Li‐ion ones for applications where cost and sustainability dominate. O3‐type sodium layered oxides could partially overcome the energy limitation, but their practical use is plagued by a reaction process that enlists numerous phase changes and volume variations while additionally being moisture sensitive. Here, it is shown that the double substitution of Ti for Mn and Cu for Ni in O3‐NaNi _0.5− _y Cu _y Mn _0.5− _z Ti _z O ₂ can alleviate most of these issues. Among this series, electrodes with specific compositions are identified that can reversibly release and uptake ≈0.9 sodium per formula unit via a smooth voltage‐composition profile enlisting minor lattice volume changes upon cycling as opposed to Δ V / V ≈23% in the parent NaNi _0.5 Mn _0.5 O ₂ while showing a greater resistance against moisture. The positive attributes of substitution are rationalized by structure considerations supported by density functional theory (DFT) calculations. Electrodes with sustained capacities of ≈180 mAh g ⁻¹ are successfully implemented into 18 650 Na‐ion cells having greater performances, energy density‐wise (≈250 Wh L ⁻¹ ), than today's Na ₃ V ₂ (PO ₄ ) ₂more »« less

Authors:

^[1];

^[2];

^[3];

^[4];

^[5]; Rabuel, François ^[6];

^[7];

^[3]

Chimie du Solide‐Energie UMR8260 Collège de France 75231 Paris Cedex 05 France, Sorbonne Université 4 place Jussieu 75005 Paris France, Renault Technocentre 1 Avenue du Golf 78288 Guyancourt France
Chimie du Solide‐Energie UMR8260 Collège de France 75231 Paris Cedex 05 France, Réseau sur le Stockage Electrochimique de l'Energie (RS2E) FR CNRS 3459 80039 Amiens France
Chimie du Solide‐Energie UMR8260 Collège de France 75231 Paris Cedex 05 France, Sorbonne Université 4 place Jussieu 75005 Paris France, Réseau sur le Stockage Electrochimique de l'Energie (RS2E) FR CNRS 3459 80039 Amiens France
Center for Energy Science and Technology Skolkovo Institute of Science and Technology Nobel str. 3 143026 Moscow Russia
Sorbonne Université 4 place Jussieu 75005 Paris France
Réseau sur le Stockage Electrochimique de l'Energie (RS2E) FR CNRS 3459 80039 Amiens France, Laboratoire de Réactivité et de Chimie des Solides UMR 7314 Univ. de Picardie Jules Verne 80039 Amiens Cedex 1 France
Renault Technocentre 1 Avenue du Golf 78288 Guyancourt France

Publication Date:: Fri Aug 09 00:00:00 EDT 2019

Sponsoring Org.:: USDOE

OSTI Identifier:: 1548796

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Advanced Energy Materials

Additional Journal Information:: Journal Name: Advanced Energy Materials Journal Volume: 9 Journal Issue: 36; Journal ID: ISSN 1614-6832

Publisher:: Wiley Blackwell (John Wiley & Sons)

Country of Publication:: Germany

Language:: English

Citation Formats


                    Wang, Qing, Mariyappan, Sathiya, Vergnet, Jean, Abakumov, Artem M., Rousse, Gwenaëlle, Rabuel, François, Chakir, Mohamed, and Tarascon, Jean‐Marie. Reaching the Energy Density Limit of Layered O3‐NaNi 0.5 Mn 0.5 O 2 Electrodes via Dual Cu and Ti Substitution.  Germany: N. p., 2019. 
Web.  doi:10.1002/aenm.201901785.

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                    Wang, Qing, Mariyappan, Sathiya, Vergnet, Jean, Abakumov, Artem M., Rousse, Gwenaëlle, Rabuel, François, Chakir, Mohamed, & Tarascon, Jean‐Marie. Reaching the Energy Density Limit of Layered O3‐NaNi 0.5 Mn 0.5 O 2 Electrodes via Dual Cu and Ti Substitution.  Germany.  https://doi.org/10.1002/aenm.201901785

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                    Wang, Qing, Mariyappan, Sathiya, Vergnet, Jean, Abakumov, Artem M., Rousse, Gwenaëlle, Rabuel, François, Chakir, Mohamed, and Tarascon, Jean‐Marie. Fri .  
"Reaching the Energy Density Limit of Layered O3‐NaNi 0.5 Mn 0.5 O 2 Electrodes via Dual Cu and Ti Substitution".  Germany.  https://doi.org/10.1002/aenm.201901785.

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@article{osti_1548796,

  title        = {Reaching the Energy Density Limit of Layered O3‐NaNi 0.5 Mn 0.5 O 2 Electrodes via Dual Cu and Ti Substitution},

  author       = {Wang, Qing and Mariyappan, Sathiya and Vergnet, Jean and Abakumov, Artem M. and Rousse, Gwenaëlle and Rabuel, François and Chakir, Mohamed and Tarascon, Jean‐Marie},

  abstractNote = {Abstract Although being less competitive energy density‐wise, Na‐ion batteries are serious alternatives to Li‐ion ones for applications where cost and sustainability dominate. O3‐type sodium layered oxides could partially overcome the energy limitation, but their practical use is plagued by a reaction process that enlists numerous phase changes and volume variations while additionally being moisture sensitive. Here, it is shown that the double substitution of Ti for Mn and Cu for Ni in O3‐NaNi 0.5− y Cu y Mn 0.5−  z Ti z O 2 can alleviate most of these issues. Among this series, electrodes with specific compositions are identified that can reversibly release and uptake ≈0.9 sodium per formula unit via a smooth voltage‐composition profile enlisting minor lattice volume changes upon cycling as opposed to Δ V / V ≈23% in the parent NaNi 0.5 Mn 0.5 O 2 while showing a greater resistance against moisture. The positive attributes of substitution are rationalized by structure considerations supported by density functional theory (DFT) calculations. Electrodes with sustained capacities of ≈180 mAh g −1 are successfully implemented into 18 650 Na‐ion cells having greater performances, energy density‐wise (≈250 Wh L −1 ), than today's Na 3 V 2 (PO 4 ) 2 F 3 /HC Na‐ion technology which excels in rate capabilities. These results constitute a step forward in increasing the practicality of Na‐ion technology with additional opportunities for applications in which energy density prevails over rate capability.},

  doi          = {10.1002/aenm.201901785},

  journal      = {Advanced Energy Materials},

  number       = 36,

  volume       = 9,

  place        = {Germany},

  year         = {Fri Aug 09 00:00:00 EDT 2019},

  month        = {Fri Aug 09 00:00:00 EDT 2019}

}

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Structure and twinning of Sr3CuPtO6 journal, February 1992

O3–Na x Mn 1/3 Fe 2/3 O 2 as a positive electrode material for Na-ion batteries: structural evolutions and redox mechanisms upon Na + (de)intercalation journal, January 2015

Water-Processable P2-Na 0.67 Ni 0.22 Cu 0.11 Mn 0.56 Ti 0.11 O 2 Cathode Material for Sodium Ion Batteries journal, January 2019

Recent Progress in Electrode Materials for Sodium-Ion Batteries journal, July 2016

Tetrastrontium dimanganese copper nonaoxide, Sr 4 Mn 2 CuO 9 journal, September 2002

Ti-Substituted NaNi 0.5 Mn 0.5- x Ti x O 2 Cathodes with Reversible O3−P3 Phase Transition for High-Performance Sodium-Ion Batteries journal, March 2017

Optimization of Na-Ion Battery Systems Based on Polyanionic or Layered Positive Electrodes and Carbon Anodes journal, January 2016

Novel titanium-based O3-type NaTi 0.5 Ni 0.5 O 2 as a cathode material for sodium ion batteries journal, January 2014

Co-Substitution Enhances the Rate Capability and Stabilizes the Cyclic Performance of O3-Type Cathode NaNi 0.45– x Mn 0.25 Ti 0.3 Co x O 2 for Sodium-Ion Storage at High Voltage journal, January 2019

An Abnormal 3.7 Volt O3-Type Sodium-Ion Battery Cathode journal, May 2018

Exploring a high capacity O3-type cathode for sodium-ion batteries and its structural evolution during an electrochemical process journal, January 2018

Sodium-ion batteries: present and future journal, January 2017

Higher energy and safer sodium ion batteries via an electrochemically made disordered Na3V2(PO4)2F3 material journal, February 2019

Enhanced Rate Capability and Cycle Performance of Titanium-Substituted P2-Type Na 0.67 Fe 0.5 Mn 0.5 O 2 as a Cathode for Sodium-Ion Batteries journal, January 2018

Designing Air-Stable O3-Type Cathode Materials by Combined Structure Modulation for Na-Ion Batteries journal, June 2017

A Chemical Approach to Raise Cell Voltage and Suppress Phase Transition in O3 Sodium Layered Oxide Electrodes journal, January 2018

Air-Stable Copper-Based P2-Na 7/9 Cu 2/9 Fe 1/9 Mn 2/3 O 2 as a New Positive Electrode Material for Sodium-Ion Batteries journal, May 2015

Structural classification and properties of the layered oxides journal, January 1980

Research Development on Sodium-Ion Batteries journal, October 2014

Stability of Prismatic and Octahedral Coordination in Layered Oxides and Sulfides Intercalated with Alkali and Alkaline-Earth Metals journal, October 2016

Title: Reaching the Energy Density Limit of Layered O3‐NaNi _0.5 Mn _0.5 O ₂ Electrodes via Dual Cu and Ti Substitution

Is Cobalt Needed in Ni-Rich Positive Electrode Materials for Lithium Ion Batteries?
journal, January 2019

Stacking-Sequence Changes and Na Ordering in Layered Intercalation Materials
journal, November 2016

Kinetics of Lithium Ion Transfer at the Interface between Graphite and Liquid Electrolytes: Effects of Solvent and Surface Film
journal, November 2009

Advanced Cathode Materials for Sodium-Ion Batteries: What Determines Our Choices?
journal, April 2017

Electrochemistry and Solid‐State Chemistry of NaMeO ₂ (Me = 3d Transition Metals)
journal, June 2018

Prototype Sodium-Ion Batteries Using an Air-Stable and Co/Ni-Free O3-Layered Metal Oxide Cathode
journal, October 2015

Magnetic susceptibility and heat capacity investigations of the unconventional spin-chain compound ${Sr}_{3} {CuPtO}_{6}$
journal, January 2004

Theoretical Analysis on De-Solvation of Lithium, Sodium, and Magnesium Cations to Organic Electrolyte Solvents
journal, January 2013

Structural study of NiO2 and CoO2 as end members of the lithiated compounds by in situ high resolution X-ray powder diffraction
journal, September 1999

Will Sodium Layered Oxides Ever Be Competitive for Sodium Ion Battery Applications?
journal, January 2018

Investigation of O3-type Na0.9Ni0.45MnxTi0.55-xO2 (0 ≤ x ≤ 0.55) as positive electrode materials for sodium-ion batteries
journal, April 2017

Layered Oxide Cathodes for Sodium-Ion Batteries: Phase Transition, Air Stability, and Performance
journal, November 2017

Correlation between Charge−Discharge Behavior of Graphite and Solvation Structure of the Lithium Ion in Propylene Carbonate-Containing Electrolytes
journal, May 2009

P2-Na0.6[Cr0.6Ti0.4]O2 cation-disordered electrode for high-rate symmetric rechargeable sodium-ion batteries
journal, April 2015

P2-type Na _2/3 Ni _1/3 Mn _2/3−x Ti _x O ₂ as a new positive electrode for higher energy Na-ion batteries
journal, January 2014

High Energy Density Sodium-Ion Battery with Industrially Feasible and Air-Stable O3-Type Layered Oxide Cathode
journal, October 2017

Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials
journal, January 2011

Conductivity, viscosity and density of MClO4 (M = Li and Na) dissolved in propylene carbonate and γ-butyrolactone at high concentrations
journal, February 2013

Investigation of Alkali‐Ion (Li, Na, and K) Intercalation in K _x VPO ₄ F ( x ∼ 0) Cathode
journal, June 2019

Unraveling the role of Ti in the stability of positive layered oxide electrodes for rechargeable Na-ion batteries
journal, January 2019

Direct visualization of the Jahn–Teller effect coupled to Na ordering in Na5/8MnO2
journal, May 2014

Structure and twinning of Sr3CuPtO6
journal, February 1992

O3–Na _x Mn _1/3 Fe _2/3 O ₂ as a positive electrode material for Na-ion batteries: structural evolutions and redox mechanisms upon Na ⁺ (de)intercalation
journal, January 2015

Water-Processable P2-Na _0.67 Ni _0.22 Cu _0.11 Mn _0.56 Ti _0.11 O ₂ Cathode Material for Sodium Ion Batteries
journal, January 2019

Recent Progress in Electrode Materials for Sodium-Ion Batteries
journal, July 2016

Tetrastrontium dimanganese copper nonaoxide, Sr ₄ Mn ₂ CuO ₉
journal, September 2002

Ti-Substituted NaNi _0.5 Mn _0.5- _x Ti _x O ₂ Cathodes with Reversible O3−P3 Phase Transition for High-Performance Sodium-Ion Batteries
journal, March 2017

Optimization of Na-Ion Battery Systems Based on Polyanionic or Layered Positive Electrodes and Carbon Anodes
journal, January 2016

Novel titanium-based O3-type NaTi _0.5 Ni _0.5 O ₂ as a cathode material for sodium ion batteries
journal, January 2014

Co-Substitution Enhances the Rate Capability and Stabilizes the Cyclic Performance of O3-Type Cathode NaNi _{0.45– x} Mn _0.25 Ti _0.3 Co _x O ₂ for Sodium-Ion Storage at High Voltage
journal, January 2019

An Abnormal 3.7 Volt O3-Type Sodium-Ion Battery Cathode
journal, May 2018

Exploring a high capacity O3-type cathode for sodium-ion batteries and its structural evolution during an electrochemical process
journal, January 2018

Sodium-ion batteries: present and future
journal, January 2017

Higher energy and safer sodium ion batteries via an electrochemically made disordered Na3V2(PO4)2F3 material
journal, February 2019

Enhanced Rate Capability and Cycle Performance of Titanium-Substituted P2-Type Na _0.67 Fe _0.5 Mn _0.5 O ₂ as a Cathode for Sodium-Ion Batteries
journal, January 2018

Designing Air-Stable O3-Type Cathode Materials by Combined Structure Modulation for Na-Ion Batteries
journal, June 2017

A Chemical Approach to Raise Cell Voltage and Suppress Phase Transition in O3 Sodium Layered Oxide Electrodes
journal, January 2018

Air-Stable Copper-Based P2-Na _7/9 Cu _2/9 Fe _1/9 Mn _2/3 O ₂ as a New Positive Electrode Material for Sodium-Ion Batteries
journal, May 2015

Structural classification and properties of the layered oxides
journal, January 1980

Research Development on Sodium-Ion Batteries
journal, October 2014

Stability of Prismatic and Octahedral Coordination in Layered Oxides and Sulfides Intercalated with Alkali and Alkaline-Earth Metals
journal, October 2016