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The search for an alternative high-voltage polyanionic cathode material for Li-ion batteries is vital to improve the energy densities beyond the state-of-the-art, where sulfate frameworks form an important class of high-voltage cathode…

We discuss the nature of charge transfer in molecular conductors upon connecting to two metallic contacts and imposing a voltage bias across them. The sign of the charge transfer (oxidation vs. reduction) depends on the position of the…

Mesoscale and Nanoscale Physics · Physics 2016-08-31 Avik W. Ghosh , Ferdows Zahid , Supriyo Datta , Robert R. Birge

Photothermal (photonic) sintering crystallizes as-deposited amorphous LiCoO2 (LCO) cathodes for solid-state thin-film batteries using millisecond, surface-localized heating. However, process design often relies on 1D models with…

Materials Science · Physics 2026-04-28 Yang Hu , Benoit Sklénard , Wouter Vels , Yaroslav E. Romanyuk , Vladyslav Turlo

This paper presents synthesis methods and multifunctional properties of porous Co3O4 nanoplatelets and nanowires. Surprisingly, significantly superior Li-ion battery performance compared to other cathode materials is exhibited in the same…

Materials Science · Physics 2012-07-16 R. Zeng , J. Q. Wang , G. D. Du , W. X. Li , Z. X. Chen , S. Li , Z. P. Guo , S. X. Dou

Challenges associated with in-service mechanical degradation of Li-ion battery cathodes has prompted a transition from polycrystalline to single crystal cathode materials. Whilst for single crystal materials, dislocation-assisted crack…

Materials Science · Physics 2023-08-15 Siyang Wang , Zonghao Shen , Aigerim Omirkhan , Oriol Gavalda-Diaz , Mary P. Ryan , Finn Giuliani

The degradation mechanism in a sodium cell of a layered Na0.48Al0.03Co0.18Ni0.18Mn0.47O2 (NCAM) cathode with P3/P2 structure is investigated by revealing the changes in microstructure and composition upon cycling. The work aims to…

The development of Mn-rich cathodes for Li-ion batteries promises to alleviate supply chain bottlenecks in battery manufacturing. Challenges in Mn-rich cathodes arise from Jahn-Teller (JT) distortions of Mn$^{3+}$, Mn migration, and phase…

Materials Science · Physics 2025-05-26 Ronald L. Kam , Luca Binci , Aaron D. Kaplan , Kristin A. Persson , Nicola Marzari , Gerbrand Ceder

Carbon nanotube (CNT) based electronic devices are promising for beyond-silicon solid-state electronics and vacuum micro-nano-electronics. Despite rapid progress in CNT field-effect transistor related solid-state electronics, the…

Applied Physics · Physics 2021-03-10 Nannan Li , Fei Yan , Baoqing Zeng , Yi Luo

An important objective of designing lithium-ion rechargeable battery cells is to maximize their rate performance without compromising the energy density, which is mainly achieved through computationally expensive numerical simulations at…

Materials Science · Physics 2020-05-05 Fan Wang , Ming Tang

The exceptional electrochemical performance of lithium-ion batteries has spurred considerable interest in advanced battery technologies, particularly those utilizing ternary nickel-cobalt-manganese (NCM) cathode materials, which are…

Materials Science · Physics 2025-01-13 Zirui Zhao , Dong Luo , Shuxing Wu , Kaitong Sun , Zhan Lin , Hai-Feng Li

Downsizing well-established materials to the nanoscale is a key route to novel functionalities, in particular if different functionalities are merged in hybrid nanomaterials. Hybrid carbon-based hierarchical nanostructures are particularly…

Batteries are playing an increasingly central role as distributed energy resources in the shift toward power systems dominated by renewable energy sources. However, existing battery models must invariably rely on complementarity constraints…

Optimization and Control · Mathematics 2025-06-27 Juan M. Morales

Layered LiMO2 (M = Ni, Co, Mn, and Al mixture) cathode materials used for Li-ion batteries are reputed to be highly reactive through their surface, where the chemistry changes rapidly when exposed to ambient air. However, conventional…

Using a new class of (BH4)- substituted argyrodite Li6PS5Z0.83(BH4)0.17, (Z = Cl, I) solid electrolyte, Li-metal solid-state batteries operating at room temperature have been developed. The cells were made by combining the modified…

Applied Physics · Physics 2020-09-14 Anh Ha Dao , Pedro López-Aranguren , Junxian Zhang , Fermín Cuevas , Michel Latroche

Late transition-metal oxides with small charge-transfer energy $\Delta$ raise issues for state-of-the-art correlated electronic structure schemes such as the combination of density functional theory (DFT) with dynamical mean-field theory…

Strongly Correlated Electrons · Physics 2019-09-17 Frank Lechermann , Wolfgang Körner , Daniel F. Urban , Christian Elsässer

Traditional approaches to identify ion-transport pathways often presume equal probability of occupying all hopping sites and focus entirely on finding the lowest migration barrier channels between them. Although this strategy has been…

Materials Science · Physics 2023-01-27 Shashwat Anand , Tina Chen , Gerbrand Ceder

Supercapacitors or ultracapacitors are promising for efficient energy storage applications, owing to their high power density, high charge-discharge rates, and long cycle life performance. To achieve this goal, a large specific surface…

Materials Science · Physics 2019-10-10 Qingqing Ke , Cao Guan , Xiao Zhang , Minrui Zheng , Yong-Wei Zhang , Yongqing Cai , Hua Zhang , John Wang

The reversibility and cyclability of anionic redox in battery electrodes hold the key to its practical employments. Here, through mapping of resonant inelastic X-ray scattering (mRIXS), we have independently quantified the evolving redox…

A defining signature of strongly correlated electronic systems is the existence of competing phases with similar ground state energies, resulting in a rich phase diagram. While in the recently discovered nickelate superconductors, a high…

Renewable energy is critical for combating climate change, whose first step is the storage of electricity generated from renewable energy sources. Li-ion batteries are a popular kind of storage units. Their continuous usage through…

Methodology · Statistics 2024-11-05 Youngjin Cho , Quyen Do , Pang Du , Yili Hong
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