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We present a first-principles study of the formation and migration of native defects in lithium hydride (LiH), a material of interest in hydrogen storage and lithium-ion batteries. We find that the negatively charged lithium vacancy and…

Materials Science · Physics 2014-12-22 Khang Hoang , Chris G. Van de Walle

Portable electronic devices are already an indispensable part of our daily life; and their increasing number and demand for higher performance is becoming a challenge for the research community. In particular, a major concern is the way to…

Applied Physics · Physics 2017-12-06 Francesco Chiabrera , Iñigo Garbayo , Nerea Alayo , Albert Tarancón

Aqueous batteries, particularly those integrating organic active materials functioning in a neutral pH environment, stand out as highly promising contenders in the stationary electrochemical storage domain, owing to their unparalleled…

Recently, lithium-ion batteries occupy a pivotal position in the realm of electric vehicles and the burgeoning new energy industry. Their performance is heavily dependent on three core states: remaining-useful-life (RUL), state-of-health…

Computational Engineering, Finance, and Science · Computer Science 2024-03-11 Zhuangwei Shi

In recent years, impressive advances in harvesting renewable energy have led to pressing demand for the complimentary energy storage technology. Here, a high coulombic efficiency (~ 99.7%) Al battery is developed using earth-abundant…

Chemical Physics · Physics 2022-06-08 Michael Angell , Chun-Jern Pan , Youmin Rong , Chunze Yuan , Meng-Chang Lin , BingJoe Hwang , Hongjie Dai

Lithium-air batteries have been considered as ultimate solutions for the power source of long-range electrified transportation, but state-of-the-art prototypes still suffer from short cycle life, low efficiency and poor power output. Here,…

Chemical Physics · Physics 2016-03-24 Peng Bai , Martin Z. Bazant

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

The rapidly growing use of lithium-ion batteries across various industries highlights the pressing issue of optimal charging control, as charging plays a crucial role in the health, safety and life of batteries. The literature increasingly…

Systems and Control · Electrical Eng. & Systems 2020-04-30 Ning Tian , Huazhen Fang , Yebin Wang

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…

Materials Science · Physics 2026-05-26 Santosh Behara , Achinthya Krishna Bheemaguli , Gopalakrishnan Sai Gautam

Achieving Li-S batteries' promise of significantly higher gravimetric energy density and lower cost than Li-ion batteries requires researchers to delineate the most important factors affecting the performance of this technology. By encoding…

Chemical Physics · Physics 2021-12-17 Michael Cornish , Monica Marinescu

Designing high potential cathodes for Na-ion batteries, which are comparable in performance to Li-ion cathodes, remains a challenging task. Through comprehensive density functional calculations, we disentangle the relationship between the…

Materials Science · Physics 2020-06-29 M. H. N. Assadi , Y. Shigeta

The study shows the importance of moving towards hollow nanostructures for obtaining next-generation supercapacitors and batteries. Amongst various sodium-based electrode materials, NaFePO4 is one of the most promising cathodic material…

Applied Physics · Physics 2021-12-16 Sudipta Biswasa , Debabrata Mandalb , Ananya Chowdhury , Amreesh Chandra

Battery degradation is a major challenge in electric vehicles (EV) and energy storage systems (ESS). However, most degradation investigations focus mainly on estimating the state of charge (SOC), which fails to accurately interpret the…

Machine Learning · Computer Science 2025-04-22 Md Azizul Hoque , Babul Salam , Mohd Khair Hassan , Abdulkabir Aliyu , Abedalmuhdi Almomany , Muhammed Sutcu

The kinetic battery model is a popular model of the dynamic behavior of a conventional battery, useful to predict or optimize the time until battery depletion. The model however lacks certain obvious aspects of batteries in-the-wild,…

Systems and Control · Computer Science 2016-08-07 Holger Hermanns , Jan Krčál , Gilles Nies

As global energy demands escalate, and the use of non-renewable resources become untenable, renewable resources and electric vehicles require far better batteries to stabilize the new energy landscape. To maximize battery performance and…

In this article the Butler-Volmer equation used in describing Lithium-ion (Li-ion) batteries is discussed. First, a complete mathematical model based on a macro-homogeneous approach developed by Neuman is presented. Two common mistakes…

Chemical Physics · Physics 2015-03-20 A. M. Ramos , C. P. Please

The technological transition of MacBook charging solutions from MagSafe to USB-C, followed by a return to MagSafe 3, encapsulates the dynamic interplay between technological advancement, environmental considerations, and economic factors.…

Computers and Society · Computer Science 2026-01-13 Zeyi Liao , Guanqun Song , Ting Zhu

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

Lithium-sulfur batteries (LSBs) represent one of the most promising next-generation energy storage technologies, offering exceptionally high energy densities. However, their widespread adoption remains hindered by challenges such as…

Capacity degradation of lithium-ion batteries under long-term cyclic aging is modelled via a flexible sigmoidal-type regression set-up, where the regression parameters can be interpreted. Different approaches known from the literature are…

Applications · Statistics 2019-07-31 Marcus Johnen , Simon Pitzen , Udo Kamps , Maria Kateri , Dirk Uwe Sauer