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Related papers: Oxygen redox in battery cathodes: A brief overview

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Defects and their interactions in crystalline solids often underpin material properties and functionality as they are decisive for stability, result in enhanced diffusion, and act as a reservoir of vacancies. Recently, lithium-rich layered…

The use of transition group metals in electric batteries requires extensive usage of critical elements like lithium, cobalt and nickel, which poses significant environmental challenges. Replacing these metals with redox-active organic…

Materials Science · Physics 2025-07-02 Subhash V. S. Ganti , Lukas Woelfel , Christopher Kuenneth

Higher loading of active electrode materials is desired in batteries, especially those based on conversion reactions, for enhanced energy density and cost efficiency. However, increasing active material loading in electrodes can cause…

Machine Learning · Computer Science 2024-12-30 Vidushi Sharma , Andy Tek , Khanh Nguyen , Max Giammona , Murtaza Zohair , Linda Sundberg , Young-Hye La

Rechargeable aqueous zinc-ion batteries (RAZIBs) attract considerable scientific and commercial interest for deployment in grid-scale energy storage due to higher safety and lower manufacturing cost when compared to lithium-ion batteries.…

Materials Science · Physics 2026-02-12 Caio Miranda Miliante , Brian D. Adams , Drew Higgins , Oleg Rubel

Developing high-energy-density batteries is essential for advancing sustainable energy technologies. However, leading cathode materials such as Li-rich oxides, including Li$_2$MnO$_3$, suffer from capacity loss due to irreversible oxygen…

Materials Science · Physics 2025-10-29 Changming Ke , Yudi Yang , Minjun Wang , Jianhui Wang , Shi Liu

Lithium-ion batteries (LIBs) have become essential in modern energy storage; however, their performance is often limited by the stability and efficiency of their components, particularly the cathode and electrolyte. Transition metal layered…

Materials Science · Physics 2025-07-15 M. D. Hashan C. Peiris , Michael Woodcox , Diana Liepinya , Robert Shepard , Hao Liu , Manuel Smeu

Kinetics of electrochemical reactions are several orders of magnitude slower in solids than in liquids as a result of the much lower ion diffusivity. Yet, the solid state maximizes the density of redox species, which is at least two orders…

Designing high potential cathodes for Na-ion batteries, which are comparable in performance to Li-ion cathodes, remains a challenging task. Through comprehensive density functional calculations, we disentangle the relationship between the…

Materials Science · Physics 2020-06-29 M. H. N. Assadi , Y. Shigeta

Recently, considerable efforts have been made on research and improvement for Ni-rich lithium-ion batteries to meet the demand from vehicles and grid-level large-scale energy storage. Development of next-generation high-performance…

Alkali metal ion batteries, and in particular Li-ion batteries, have become a key technology for current and future energy storage, already nowadays powering many devices of our daily lives. Due to the inherent complexity of batteries and…

Materials Science · Physics 2021-12-14 Holger Euchner , Axel Groß

A radical anion based functionalization of the basal plane of two-dimensional (2D) materials is proposed in the present study. Simple charge neutral radical functionalizations typically detach from the basal planes upon reduction. For…

Materials Science · Physics 2021-05-26 Karoly Nemeth

The polyanionic compound Na2MnSiO4 is regarded as one of the promising cathode materials for Na-ion batteries due to good specific capacity with its attractive prospect of utilization of two electrons in the redox processes. So, in this…

Materials Science · Physics 2021-10-19 Vishnu Sudarsanan , Anu Maria Augustine , P Ravindran

Potassium-ion ($\rm K$-ion) rechargeable batteries; considered to be lucrative low-cost battery options for large-scale and capacious energy storage systems, have been garnering tremendous attention in recent years. However, due to the…

Advances in lithium-metal anodes have inspired interest in discovery of Li-free cathodes, most of which are natively found in their charged state. This is in contrast to today's commercial lithium-ion battery cathodes, which are more stable…

Materials Science · Physics 2024-09-12 Haoming Howard Li , Qian Chen , Gerbrand Ceder , Kristin A. Persson

Batteries are pivotal components in overcoming some of today's greatest technological challenges. Yet to date there is no self-consistent atomistic description of a complete battery. We take first steps toward modeling of a battery as a…

Materials Science · Physics 2013-08-16 Wolf B. Dapp , Martin H. Müser

Moving to larger cell formats in lithium-ion batteries increases overall useable energy but introduces inhomogeneities that influence aging. This study investigates degradation in 21700-type cells with NCM cathodes and graphite/SiOx anodes…

Understanding the role of metal and oxygen in the redox process of layered 3d transition metal oxides is crucial to build high density and stable next generation Li-ion batteries. We combine hard X-ray photoelectron spectroscopy and…

Materials Science · Physics 2023-11-16 Roberto Fantin , Ambroise van Roekeghem , Anass Benayad

The important peaks related to the physical properties of a lithium ion rechargeable battery were extracted from the measured X ray diffraction spectrum by a convolutional neural network based on the Attention mechanism. Among the deep…

Machine Learning · Statistics 2020-06-03 Koichi Kano , Takashi Segi , Hiroshi Ozono

Lithium titanium oxide Li$_4$Ti$_5$O$_{12}$ (LTO) is an intriguing anode material promising particularly long lived batteries, due to its remarkable phase stability during (dis)charging of the cell. However, its usage is limited by its low…

Materials Science · Physics 2020-01-03 Matthias Kick , Cristina Grosu , Markus Schuderer , Christoph Scheurer , Harald Oberhofer

Sodium-ion batteries have gained much interest over the past years and especially layered oxides are highly considered as cathodes for the next generation of batteries. However, there are still significant challenges to overcome in these…

Materials Science · Physics 2025-12-09 Konstantin Köster , Payam Kaghazchi