Na2MnO3 as cathode materials for Na ion batteries: From first-principles investigations

Sodium‐ion batteries (SIBs) as the next generation of sustainable energy technologies have received widespread investigations for large‐scale energy storage systems (EESs) and smart grids due to the huge natural abundance and low cost of sodium. Although the great efforts are made in exploring layered transition metal oxide cathode for SIBs, their performances have reached the bottleneck for further practical application. Nowadays, anionic redox in layered transition metal oxides has emerged as a new paradigm to increase the energy density of rechargeable batteries. Based on this point, in this review, the development history of anionic redox reaction is attempted to systematically summarize and provide an in‐depth discussion on the anionic redox mechanism. Particularly, the major challenges of anionic redox and the corresponding available strategies toward triggering and stabilizing anionic redox are proposed. Subsequently, several types of sodium layered oxide cathodes are classified and comparatively discussed according to Na‐rich or Na‐deficient materials. A large amount of progressive characterization techniques of anionic oxygen redox is also summarized. Finally, an overview of the existing prospective and the future development directions of sodium layered transition oxide with anionic redox reaction are analyzed and suggested.

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Section: Anionic Redox In Sodium‐layered Oxide Cathode Materialsmentioning

confidence: 99%

Unraveling Anionic Redox for Sodium Layered Oxide Cathodes: Breakthroughs and Perspectives

et al. 2022

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“…First‐principle calculations have shown that Na + can be extracted from Na 2 MnO 3 with relatively low energy barriers of 0.68–0.75 eV. Moreover, Na atoms in the TM layer have strong interactions with O atoms, which stabilize the Na 2 MnO 3 structure during Na + extraction …”

Section: Introductionmentioning

confidence: 99%

“…Moreover, Na atoms in the TM layer have strong interactions with O atoms, which stabilize the Na 2 MnO 3 structure during Na + extraction. [28] Even though Na 2 MnO 3 is listed in the Materials Project database (No. 769949) [29] , its practical existence has not been discussed from the structural and thermal stability aspects, which raises uncertainty of its preparation and application in SIBs.…”

Section: Introductionmentioning

confidence: 99%

Electronic Properties, Phase Transformation, and Anionic Redox of Monoclinic Na₂MnO₃ Cathode Material for Sodium‐Ion Batteries: First‐Principle Calculations

et al. 2019

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The high electrochemical performance of Li2MnO3‐derived Li‐rich layered oxides suggests that Na2MnO3 might be a promising cathode material for sodium‐ion batteries for its effective anionic oxygen redox. However, experimental and theoretical evidence for anionic redox and enhanced Na+ capacity of Na2MnO3 has not been established. In the present work, the structural and thermal stability, and the anionic oxygen redox mechanism of Na2MnO3 were studied by using first‐principle calculations based on density functional theory. About 1.75 Na+ per formula unit were extracted from Na2‐xMnO3 through partial O2− oxidation while the local structure remained intact, resulting in a large theoretical capacity of 315 mA h g−1. Surface Na+ was extracted before bulk Na+, which might have led to oxygen loss and structural transformation from the surface to the material bulk. Given the importance of high capacity in practical applications, Na2MnO3 and its derived Na‐rich layered oxides might be considered promising cathode materials for sodium ion batteries.

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“…From those energy storage devices, batteries attract attention due to capability to storage a great quantity of energy, compared to other devices. There are many types of batteries, such as Li-ion (Qian et al, 2018), Na-ion (Zheng et al, 2018), metal-air (Tan et al, 2018), lead-acid (Kȓivík, 2018), etc. Redox flow battery (RFB) is a novel storage device proposed by Thaller in 1975, which contains the redox pair species in aqueous solutions, thereby, few advantages are identified, such as durability and stability of the electrolyte (Nam et al, 2016).…”

Section: Introductionmentioning

confidence: 99%

Preparation and Characterization of PVDF/Pes/Nafion® 117 Membranes With Potential Application in Vanadium Flow Batteries

Limón¹

2018

Rev.Mex.Ing.Quim.

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Na2MnO3 as cathode materials for Na ion batteries: From first-principles investigations

Cited by 36 publications

References 26 publications

Unraveling Anionic Redox for Sodium Layered Oxide Cathodes: Breakthroughs and Perspectives

Unraveling Anionic Redox for Sodium Layered Oxide Cathodes: Breakthroughs and Perspectives

Electronic Properties, Phase Transformation, and Anionic Redox of Monoclinic Na₂MnO₃ Cathode Material for Sodium‐Ion Batteries: First‐Principle Calculations

Preparation and Characterization of PVDF/Pes/Nafion® 117 Membranes With Potential Application in Vanadium Flow Batteries

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Na2MnO3 as cathode materials for Na ion batteries: From first-principles investigations

Cited by 36 publications

References 26 publications

Unraveling Anionic Redox for Sodium Layered Oxide Cathodes: Breakthroughs and Perspectives

Unraveling Anionic Redox for Sodium Layered Oxide Cathodes: Breakthroughs and Perspectives

Electronic Properties, Phase Transformation, and Anionic Redox of Monoclinic Na2MnO3 Cathode Material for Sodium‐Ion Batteries: First‐Principle Calculations

Preparation and Characterization of PVDF/Pes/Nafion® 117 Membranes With Potential Application in Vanadium Flow Batteries

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Electronic Properties, Phase Transformation, and Anionic Redox of Monoclinic Na₂MnO₃ Cathode Material for Sodium‐Ion Batteries: First‐Principle Calculations