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Oxide Li-conducting solid-state electrolytes (SSEs) offer excellent chemical and thermal stability but typically exhibit lower ionic conductivity than sulfides and chlorides. This motivates the search for new oxide materials with enhanced…

Materials Science · Physics 2025-10-02 Seungwoo Hwang , Jiho Lee , Seungwu Han , Youngho Kang , Sungwoo Kang

Natural abundance of sodium and its similar behavior to lithium triggered recent extensive studies of cost-effective sodium-ion batteries (SIBs) for large-scale energy storage systems. A challenge is to develop electrode materials with a…

Materials Science · Physics 2017-09-19 Gum-Chol Ri , Song-Hyok Choe , Chol-Jun Yu

Accurate parameter dependent electro-chemical numerical models for lithium-ion batteries are essential in industrial application. The exact parameters of each battery cell are unknown and a process of estimation is necessary to infer them.…

Statistics Theory · Mathematics 2024-04-25 Andrea Petrocchi , Matthias K. Scharrer , Franz Pichler , Stefan Volkwein

How particular bonds form in quantum materials has been a long-standing puzzle. Two key concepts dealing with charge degrees of freedom are dimerization (forming metal-metal bonds) and charge ordering (CO). Since the 1930s, these two…

Multivalent batteries are an energy storage technology with the potential to surpass lithium-ion batteries, however their performance has been limited by the low voltages and poor solid-state ionic mobility of available cathodes. A…

Materials Science · Physics 2022-04-13 Ann Rutt , Jimmy-Xuan Shen , Matthew Horton , Jiyoon Kim , Jerry Lin , Kristin A. Persson

Layered-oxide $\mathrm{LiNi_xMn_yCo_{1-x-y}O_2}$ (NMC) positive electrodes with high Nickel content, deliver high voltages and energy densities. However, a high nickel content, e.g., $x$ = 0.8 (NMC 811), can lead to high surface reactivity,…

Materials Science · Physics 2023-07-11 Hengning Chen , Zeyu Deng , Yuheng Li , Pieremanuele Canepa

We propose fabrication of the fiber-shaped lithium ion batteries assembled by twisting a cathode filament together with an anode filament. The cathode filament is fabricated by depositing a LiFePO4 (LFP)-composite layer onto a steel-filled…

Applied Physics · Physics 2018-01-16 Hang Qu , Xin Lu , Maksim Skorobogatiy

Electronic conductivity in organic materials is well-established. Both semiconductive and metallic behavior is observed in (quasi) 0-, 1-, 2- and 3-dimensional carbon-based materials and is applied in a wide range of commercial devices.…

Rechargeable Zn batteries with aqueous electrolytes have been considered as promising alternative energy storage technology, with various advantages such as low cost, high volumetric capacity, environmentally friendly, and high safety.…

Materials Science · Physics 2021-08-31 Linming Zhou , Archie Mingze Yao , Yongjun Wu , Ziyi Hu , Yuhui Huang , Zijian Hong

Numerical simulations are a powerful tool for the development and improvement of Li-ion batteries. Modeling the mass transport of the involved electrolytic solutions requires precise determination of the corresponding electrolyte…

Chemical Physics · Physics 2024-11-21 Lukas Lehnert , Maryam Nojabaee , Arnulf Latz , Birger Horstmann

Sodium-ion batteries (SIBs) share similar electrochemistry with Li but offer several advantages, including high abundance in nature and low cost, as well as suitability for fast charging due to a Na-ion mobility higher than that of Li. The…

Materials Science · Physics 2026-05-27 Suchona Akter , Mohammad R. Momeni

The kagome lattice is an intriguing and rich platform for discovering, tuning and understanding the diverse phases of quantum matter, which is a necessary premise for utilizing quantum materials in all areas of modern and future electronics…

Controlling nanostructure from molecular, crystal lattice to the electrode level remains as arts in practice, where nucleation and growth of the crystals still require more fundamental understanding and precise control to shape the…

Accurate first-principles predictions of the structural, electronic, magnetic, and electrochemical properties of cathode materials can be key in the design of novel efficient Li-ion batteries. Spinel-type cathode materials Li$_x$Mn$_2$O$_4$…

Materials Science · Physics 2023-03-30 Iurii Timrov , Michele Kotiuga , Nicola Marzari

Li-ion rechargeable batteries have enabled the wireless revolution transforming global communication. Future challenges, however, demands distributed energy supply at a level that is not feasible with the current energy-storage technology.…

Lithium-intercalated layered transition-metal oxides, LixTMO2, brought about a paradigm change in rechargeable batteries in recent decades and show promise for use in memristors, a type of device for future neural computing and on-chip…

Materials Science · Physics 2021-05-31 Tianli Feng , Andrew O'Hara , Sokrates T. Pantelides

Computational modeling is vital for the fundamental understanding of processes in Li-ion batteries. However, capturing nanoscopic to mesoscopic phase thermodynamics and kinetics in the solid electrode particles embedded in realistic…

Lithium (Li) metal anodes are essential for developing next-generation high-energy-density batteries. Numerous concerns on the potential safety hazards of the Li metal have been brought up before its massive application in commercialized…

Efficient energy storage systems are crucial to address the intermittency of renewable energy sources. As multivalent batteries, Zn-ion batteries (ZIBs), while inherently low voltage, offer a promising low cost alternative to Li-ion…

Materials Science · Physics 2025-04-17 Roberta Pascazio , Qian Chen , Haoming Howard Li , Aaron D. Kaplan , Kristin A. Persson

Tailoring the performance of next-generation high entropy materials requires a deep understanding of the competition between entropy-driven random solid solution and enthalpy-driven chemical ordering. Investigating such order and disorder…

Materials Science · Physics 2026-03-24 Fanli Zhou , Hao Chen , Pengxiang Xu , Kai Yang , Zongrui Pei , Xianglin Liu