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Calcium batteries (CBs) are an attractive post-Li-ion technology, offering the appeal of Ca's natural abundance and high volumetric energy density. However, practical realization of CBs remains limited by the scarcity of positive electrode…

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.…

材料科学 · 物理学 2021-07-29 Wang Lu , Juefan Wang , Gopalakrishnan Sai Gautam , Pieremanuele Canepa

Sodium-ion batteries are a viable alternative to lithium-ion technology due to the plentiful sodium resources. However, certain commercialization challenges, such as low specific energies and poor cycling performance of current Na-ion…

化学物理 · 物理学 2024-08-08 Tenglong Lu , Sheng Meng , Miao Liu

The search for sustainable, high-performance cathodes has driven a growing interest in sodium superionic conductor (NASICON)-type phosphates for sodium-ion batteries (SIBs). To identify promising NASICONs containing earth-abundant…

材料科学 · 物理学 2026-05-26 Santosh Behara , Achinthya Krishna Bheemaguli , Gopalakrishnan Sai Gautam

Selecting materials for hybrid cathodes for batteries, which combine intercalation and conversion materials, has gained interest due to their unique synergistic properties, which are not achievable by homogeneous materials. Here, we present…

材料科学 · 物理学 2024-10-28 Ahmed H. Biby , Benjamin S. Rich , Charles B. Musgrave

Na-ion batteries (NIBs) are increasingly looked at as a viable alternative to Li-ion batteries due to the abundance, low cost, and thermal stability of Na-based systems. To improve the practical utilization of NIBs in applications, it is…

材料科学 · 物理学 2024-12-17 Debolina Deb , Gopalakrishnan Sai Gautam

The development of new battery materials, particularly novel cathode chemistries, is essential for enabling next generation energy storage technologies. In this work, we employ a multi-fidelity screening protocol combining the Energy-GNoME…

材料科学 · 物理学 2026-02-11 Nada Alghamdi , Paolo de Angelis , Pietro Asinari , Eliodoro Chiavazzo

A new nanofibrous material, consisting of a conductive carbon core and an external layer made of vanadium oxide, has been studied as a cathode for aluminium-ion batteries. The material enables a mixed-ion intercalation mechanism, resulting…

应用物理 · 物理学 2020-03-24 Nicolò Canever , Thomas Nann

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…

材料科学 · 物理学 2017-09-19 Gum-Chol Ri , Song-Hyok Choe , Chol-Jun Yu

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…

材料科学 · 物理学 2025-10-13 Vijay Choyal , Debsundar Dey , Gopalakrishnan Sai Gautam

We describe Na0.67Mn0.625Fe0.25Co0.125O2 (NMFCO), a P2-type sodium-ion battery cathode. Our composition, with significantly less Co than in an earlier study, shows discharge capacity close to 190 mAhg-1 and specific energy density exceeding…

材料科学 · 物理学 2024-08-06 William Rexhausen , Christian Parsons , Uma Garg , Deyang Qu , Prasenjit Guptasarma

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…

材料科学 · 物理学 2022-04-13 Ann Rutt , Jimmy-Xuan Shen , Matthew Horton , Jiyoon Kim , Jerry Lin , Kristin A. Persson

Ongoing research in the area of advanced cathode materials for sodium-ion batteries (SIBs) is expected to reduce reliance on lithium-ion batteries (LIBs), providing more affordable and sustainable energy storage solutions. Polyanionic…

材料科学 · 物理学 2025-10-01 Madhav Sharma , Riya Gulati , Rajendra S. Dhaka

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.…

材料科学 · 物理学 2026-02-12 Caio Miranda Miliante , Brian D. Adams , Drew Higgins , Oleg Rubel

The structural stability and electrochemical performance of boron substituted fluorinated graphite as a Li ion batteries cathode material are studied by first principles calculations. The results show that boron substituted fluorinated…

材料科学 · 物理学 2020-11-17 Zhiqiang Wang , Lixin Xiong , Wenwei Luo , Bo Xu , Chuying Ouyang

A main source of capacity fading in lithium-ion batteries is the degradation of the active cathode materials caused by the series of volume changes during charge and discharge cycles. The quaternary colquiriite-type fluorides…

材料科学 · 物理学 2023-10-24 A. F. Baumann , D. Mutter , D. F. Urban , C. Elsässer

To pursuit high electrochemical performance of supercapacitors based on Faradaic charge-transfer with redox reaction or absorption/desorption effect, the intercalation efficiency of electrolyte ions into electrode materials is a crucial…

材料科学 · 物理学 2017-06-27 Shuang Zhou , Huimin Gao , Cheng Zhang , Jie Yang , Shaolong Tang , Qingyu Xu , Shuai Dong

Using an ab initio evolutionary algorithm combined with first-principles calculations, two metastable NaMnO$_2$ polymorphs, $I4_1/amd$ and Cmcm, are identified as promising cathode materials for sodium-ion batteries. Both phases exhibit…

材料科学 · 物理学 2025-06-24 Fukuan Wang , Chen Zhou , Busheng Wang , Yong Liu

Mechanical stresses and strains in the microstructure of cathode materials evolving during charge/discharge cycles can reduce the long-term stability of intercalation-type alkali-metal-ion batteries. In this context, crystalline compounds…

材料科学 · 物理学 2024-09-17 A. F. Baumann , D. Mutter , D. F. Urban , C. Elsässer

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…

材料科学 · 物理学 2026-05-13 Jhon Rogelnor A. Florida , Edward Aris D. Fajardo
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