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Herein we report on a detailed investigation of the irreversible capacity in the first cycle of pyrolytic graphite electrodes in aluminum batteries employing 1-ethyl-3-methylimidazolium chloride:aluminum trichloride (EMIMCl:AlCl3) as…

Na, K and Ca-ion battery electrode materials with appropriate electrochemical properties are desirable candidates for replacing lithium-ion batteries (LIBs) because of their natural richness and low cost. Recently, MoO2 has been reported as…

Computational Physics · Physics 2019-03-27 Yongchao Rao , Song Yu , Xiao Gu , Xiangmei Duan

Conventional lithium-ion batteries, and many next-generation technologies, rely on organic electrolytes with multiple solvents to achieve the desired physicochemical and interfacial properties. The complex interplay between these properties…

Soft Condensed Matter · Physics 2023-03-06 Zachary A. H. Goodwin , Michael McEldrew , Boris Kozinsky , Martin Z. Bazant

Silicon anodes offer high energy densities for next-generation lithium-ion batteries; however, their application is limited by severe volume expansion during cycling. Making silicon porous or nanostructured mitigates this expansion but…

The performances of lithium-ion batteries are set by the electrodes materials capacity to exchange lithium ions and electrons faster and reversibly. To this goal Ni-rich layered metal oxides, especially LiNiO2, are attractive electrode…

High-entropy alloys (HEAs) are a new class of materials constructed from multiple principal elements statistically arranged on simple crystallographic lattices. Due to the large amount of disorder present, they are excellent model systems…

Superconductivity · Physics 2018-03-28 Fabian O. von Rohr , Robert J. Cava

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

The concept of green in a battery involves the chemical nature of electrodes and electrolytes as well as the economic sustainability of the cell. Although these aspects are typically discussed separately, they are deeply interconnected:…

Lithium-ion batteries (LIBs) are ubiquitous in everyday applications. However, Lithium (Li) is a limited resource on the planet and is therefore not sustainable. As an alternative to lithium, earth-abundant and cheaper multivalent metals…

Materials Science · Physics 2023-03-23 Joy Datta , Nikhil Koratkar , Dibakar Datta

Garnet-type Li$_{6.25}$Al$_{0.25}$La$_3$Zr$_2$O$_{12}$ (Al-LLZO) solid electrolytes are promising for all-solid-state batteries but are limited by interfacial resistance. In this work, dense and graded tri-layer Al-LLZO electrolytes were…

Materials Science · Physics 2026-03-24 Naisargi Kanabar , Seiichiro Higashiya , Haralabos Efstathiadis

Excellent two-dimensional electrode materials can be used to design high-performance alkali-metal-ion batteries. Here, we propose ReN$_2$ monolayer as a superior two-dimensional material for sodium-ion batteries. Total-energy optimization…

Mesoscale and Nanoscale Physics · Physics 2019-06-13 Shi-Hao Zhang , Bang-Gui Liu

Calcium batteries (CBs) are potential next-generation energy storage devices, offering a promising alternative to lithium-ion batteries due to their theoretically high energy density, better safety, and lower costs associated with the…

Materials Science · Physics 2024-12-17 Dereje Bekele Tekliye , Gopalakrishnan Sai Gautam

Lithium fluorinated carbon is one of the most promising chemistries for high-energy-density primary energy storage systems in applications where rechargeability is not required. Though Li/CFx demonstrates high energy density under ambient…

Using an ab initio approach, we explore the stability of small vacancy and vacancy-chromium clusters in dilute body-centred cubic Fe-Cr alloys. To explain experimental observations described in C.D. Hardie et al., J. Nucl. Mater. 439, 33…

Materials Science · Physics 2018-03-14 M. Yu. Lavrentiev , D. Nguyen-Manh , S. L. Dudarev

Compositionally complex ceramics (CCCs), including high-entropy ceramics (HECs) as a subclass, offer new opportunities of materials discovery beyond the traditional methodology of searching new stoichiometric compounds. Herein, we establish…

The rapidly growing demand for compact, high-energy power sources has outpaced the capabilities of conventional electrochemical systems that rely on outer-shell redox reactions. In this work, we present a new energy platform that utilizes…

Atomic Physics · Physics 2026-01-27 Tianrui Li , Yi Jiang , Chen Zhao , Bingsheng Tu , Peining Chen , Jiajun Qin , Huisheng Peng

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…

Materials Science · Physics 2024-10-28 Ahmed H. Biby , Benjamin S. Rich , Charles B. Musgrave

The development of silicon anodes to replace conventional graphite in efforts to increase energy densities of lithium-ion batteries has been largely impeded by poor interfacial stability against liquid electrolytes. Here, stable operation…

This article reviews the development of cathode materials for secondary lithium ion batteries since its inception with the introduction of lithium cobalt oxide in early 1980s. The time has passed and numerous cathode materials are designed…

Materials Science · Physics 2021-09-07 Ambesh Dixit

The electron flux diverts electrons from optimal hydrogen production pathways to competitive pathways, which overall reduces the efficiency of the photo fermentation hydrogen production (PFHP) system. For tackling electron flux and…

Biological Physics · Physics 2025-12-05 Muhammad Shahzaib