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Mg batteries utilizing a Mg metal anode with a high-voltage intercalation cathode define a potential pathway toward energy storage with high energy density. However, the realization of Mg batteries is plagued by the instability of existing…

Materials Science · Physics 2019-02-07 Tina Chen , Gerbrand Ceder , Sai Gautam Gopalakrishnan , Pieremanuele Canepa

Mg batteries with oxide cathodes have the potential to significantly surpass existing Li-ion technologies in terms of sustainability, abundance, and energy density. However, Mg intercalation at the cathode is often severely hampered by the…

Materials Science · Physics 2023-03-21 Mohsen Sotoudeh , Manuel Dillenz , Johannes Döhn , Julian Hansen , Sonia Dsoke , Axel Groß

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

Magnesium-ion batteries hold promise as future energy storage solution, yet current Mg cathodes are challenged by low voltage and specific capacity. Herein, we present an AI-driven workflow for discovering high-performance Mg cathode…

Materials Science · Physics 2025-06-11 Wenjie Chen , Zichang Lin , Xinxin Zhang , Hao Zhou , Yuegang Zhang

The identification of alternatives to the Lithium-ion battery architecture remains a crucial priority in the diversification of energy storage technologies. Accompanied by the low reduction potential of $\mathrm{Ca^{2+}/Ca}$, -2.87 V vs.…

Materials Science · Physics 2021-07-29 Wang Lu , Juefan Wang , Gopalakrishnan Sai Gautam , Pieremanuele Canepa

The rate performance of any electrode or solid electrolyte material used in a battery is critically dependent on the migration barrier ($E_m$) governing the motion of the intercalant ion, which is a difficult-to-estimate quantity both…

Materials Science · Physics 2025-12-08 Reshma Devi , Avaneesh Balasubramanian , Keith T. Butler , Gopalakrishnan Sai Gautam

Developing high-performance cathode materials for magnesium-ion batteries (MIBs) remains challenging because Mg$^{2+}$ ions move slowly, and conventional materials exhibit low voltage outputs. In this study, machine learning and…

Materials Science · Physics 2026-05-13 Jhon Rogelnor A. Florida , Edward Aris D. Fajardo

We present ab initio studies of structures, energetics, and diffusion properties of Mg in Si, Ge, and Sn diamond structures to evaluate their potential as insertion type anode materials for Mg batteries. We show that Si could provide the…

Materials Science · Physics 2013-03-19 Oleksandr I. Malyi , Teck L. Tan , Sergei Manzhos

The surface coating of cathodes using insulator films has proven to be a promising method for high-voltage cathode stabilization in Li-ion batteries. However, there is still substantial uncertainty about how these films function,…

Benefited from the advantages on environmental benign, easy purification, and high thermal stability, the recently synthesized two-dimensional (2D) material MoN2 shows great potential for clean and renewable energy applications. Here,…

Materials Science · Physics 2017-02-03 Xiaoming Zhang , Zhiming Yu , Shan-Shan Wang , Shan Guan , Hui Ying Yang , Yugui Yao , Shengyuan A. Yang

Ionic liquids are promising candidates for novel electrolytes as they possess large electrochemical and thermodynamic stability and offer a high degree of tunability. As purely-ionic electrolyte without neutral solvent they exhibit…

Chemical Physics · Physics 2022-01-12 Max Schammer , Birger Horstmann , Arnulf Latz

Magnesium (Mg) metal has been widely explored as an anode material for Mg-ion batteries (MIBs) owing to its large specific capacity and dendrite-free operation. However critical challenges, such as the formation of passivation layers during…

Materials Science · Physics 2018-11-26 Mingchao Wang , Jodie A. Yuwono , Vallabh Vasudevan , Nick Birbilis , Nikhil V. Medhekar

It is well established that magnetic fields have a significant effect on transport in certain classes of electronic conductors. Less reported, however, are similar effects in solid ionic conductors. Despite the rarity of Hall mobility…

Materials Science · Physics 2026-05-07 Timothy Carlson , Sanjay Govindjee

Magnesium oxide and sulfide spinels have recently attracted interest as cathode and electrolyte materials for energy-dense Mg batteries, but their observed electrochemical performance depends strongly on synthesis conditions. Using first…

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

So far, magneto-ionics, understood as voltage-driven ion transport in magnetic materials, has largely relied on controlled migration of oxygen ion/vacancy and, to a lesser extent, lithium and hydrogen. Here, we demonstrate efficient,…

Charge transport in MoS2 in the low carrier density regime is dominated by trap states and band edge disorder. The intrinsic transport properties of MoS2 emerge in the high density regime where conduction occurs via extended states. Here,…

Mesoscale and Nanoscale Physics · Physics 2014-12-08 Leiqiang Chu , Hennrik Schmidt , Jiang Pu , Shunfeng Wang , Barbaros Özyilmaz , Taishi Takenobu , Goki Eda

Development of energy storage technologies that can exhibit higher energy densities, better safety, and lower supply-chain constraints than the current state-of-the-art Li-ion batteries (LIBs) is crucial for our transition into sustainable…

Materials Science · Physics 2025-10-13 Vijay Choyal , Debsundar Dey , Gopalakrishnan Sai Gautam

Transition-metal dichalcogenides (TMDCs) are important class of two-dimensional (2D) layered materials for electronic and optoelectronic applications, due to their ultimate body thickness, sizable and tunable bandgap, and decent theoretical…

Materials Science · Physics 2017-01-10 Zhihao Yu , Zhun-Yong Ong , Songlin Li , Jian-Bin Xu , Gang Zhang , Yong-Wei Zhang , Yi Shi , Xinran Wang

Combination of electrical conductivity and optical transparency in the same material -- known to be a prerogative of only a few oxides of post-transition metals, such as In, Sn, Zn and Cd -- manifests itself in a distinctive band structure…

Materials Science · Physics 2009-11-13 J. E. Medvedeva
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