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Nickel-rich layered oxides have been widely used as positive electrode materials for high-energy-density lithium-ion batteries, but their degradation has severely affected cell performance, in particular at a high voltage and temperature.…

材料科学 · 物理学 2023-04-04 Mingzhao Zhuo , Gregory Offer , Monica Marinescu

Accurate prediction of the voltage of battery materials plays a pivotal role in the advancement of energy storage technologies and the rational design of high-performance cathode materials. In this work, we present a deep neural network…

Porous electrodes are found in energy storage devices such as supercapacitors and pseudocapacitors. However, the effect of electrode-pore-size distribution over their energy storage properties remains unclear. Here, we develop a model for…

化学物理 · 物理学 2021-12-03 Filipe Henrique , Pawel J. Zuk , Ankur Gupta

Batteries with silicon-graphite-based anodes, which offer higher energy density and improved charging performance, introduce pronounced voltage hysteresis, making state-of-charge (SoC) estimation particularly challenging. Existing…

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

Batteries are nonlinear dynamical systems that can be modeled by Porous Electrode Theory models. The aim of optimal fast charging is to reduce the charging time while keeping battery degradation low. Most past studies assume that model…

系统与控制 · 电气工程与系统科学 2024-10-14 Minsu Kim , Joachim Schaeffer , Marc D. Berliner , Berta Pedret Sagnier , Rolf Findeisen , Richard D. Braatz

We consider the problem of optimal charging/discharging of a bank of heterogenous battery units, driven by stochastic electricity generation and demand processes. The batteries in the battery bank may differ with respect to their…

机器学习 · 计算机科学 2021-09-16 Vivek Deulkar , Jayakrishnan Nair

Essential to various practical applications of lithium-ion batteries is the availability of accurate equivalent circuit models. This paper presents a new coupled electro-thermal model for batteries and studies how to extract it from data.…

系统与控制 · 电气工程与系统科学 2024-08-21 Hao Tu , Xinfan Lin , Yebin Wang , Huazhen Fang

The determination of a patient's DNA sequence can, in principle, reveal an increased risk to fall ill with particular diseases [1,2] and help to design "personalized medicine" [3]. Moreover, statistical studies and comparison of genomes [4]…

Sodium-ion batteries require anodes that combine high capacity, low operating voltage, fast Na-ion transport, and mechanical stability, which conventional anodes struggle to deliver. Here, we use the SpookyNet machine-learning force field…

We developed a convolutional neural network (CNN) model capable of predicting the performance of various ion-doped NASICON compounds by leveraging extensive datasets from prior experimental investigation.The model demonstrated high accuracy…

材料科学 · 物理学 2025-01-13 Zirui Zhao , Xiaoke Wang , Si Wu , Pengfei Zhou , Qian Zhao , Guanping Xu , Kaitong Sun , Hai-Feng Li

Lithium metal cells are key towards achieving high specific energy and energy density for electrification of transportation and aviation. Anode-free cells are the limiting case of lithium metal cells involving no excess lithium and the…

材料科学 · 物理学 2019-12-04 Vikram Pande , Venkatasubramanian Viswanathan

Determining the nature of surface roughness and electrode pore structure on H2 bubble evolution rate and quantity, and bubble trapping under electrolytic conditions is important for quantifying useful gas production during total water…

材料科学 · 物理学 2025-12-19 Matthew Ferguson , Alex Lonergan , Christopher Kent , Dara Fitzpatrick , Colm O'Dwyer

Amorphous and amorphous porous palladium are key materials for catalysis, hydrogen storage, and functional applications, but their complex structures present computational challenges. This study employs a deep neural network trained on…

材料科学 · 物理学 2025-02-11 Isaías Rodríguez

Enabling fast charging for lithium ion batteries is critical to accelerating the green energy transition. As such, there has been significant interest in tailored fast-charging protocols computed from the solutions of constrained optimal…

最优化与控制 · 数学 2023-10-31 Ross Drummond , Nicola E. Courtier , David A. Howey , Luis D. Couto , Chris Guiver

Accurate estimation of battery state of health is crucial for effective electric vehicle battery management. Here, we propose five health indicators that can be extracted online from real-world electric vehicle operation and develop a…

机器学习 · 计算机科学 2024-09-24 Andrea Lanubile , Pietro Bosoni , Gabriele Pozzato , Anirudh Allam , Matteo Acquarone , Simona Onori

Si-anodes have long been candidates thanks to an expected ten-fold increase in capacity compared to graphite. However, details of the mechanisms governing their degradation remain elusive, hindering science-guided development of long-lived…

Numerical modeling and simulation have become indispensable tools for advancing a comprehensive understanding of the underlying mechanisms and cost-effective process optimization and control of flow batteries. In this study, we propose an…

化学物理 · 物理学 2022-03-07 QiZhi He , Yucheng Fu , Panos Stinis , Alexandre Tartakovsky

Achieving reversible anode-free solid-state batteries hinges on controlling alkali-metal plating and stripping at buried interfaces, yet the underlying nanoscale mechanisms remain unresolved. Here we introduce virtual-electrode low-energy…

We present a computational microscopy analysis (targeted molecular dynamics simulations) of the structure and performance of conductive metal organic framework (MOF) electrodes in supercapacitors with room temperature ionic liquids. The…

材料科学 · 物理学 2020-02-24 Sheng Bi , Ming Chen , Runxi Wang , Jiamao Feng , Mircea Dinca , Alexei A. Kornyshev , Guang Feng