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Lithium (Li) metal anodes are essential for developing next-generation high-energy-density batteries. However, Li dendrite/whisker formation caused short-circuiting issue and short cycle life have prevented lithium metal from being viably…

Materials Science · Physics 2022-05-02 Bingyu Lu , Wurigumula Bao , Weiliang Yao , Jean-Marie Doux , Chengcheng Fang , Ying Shirley Meng

This paper presents a novel diffuse-interface electrochemical model that simultaneously simulates the evolution of the metallic negative electrode and interfacial voids during the stripping and plating processes in solid-state batteries.…

Materials Science · Physics 2024-12-24 Sourav Chatterjee , Michael Tonks , William Gardner , Marina Sessim

Platinum step edges dominate electrocatalytic activity in fuel cells and electrolysers, yet their atomistic electrochemical behaviour remains poorly understood. Here, we employ \textit{ab initio} molecular dynamics under controlled…

Materials Science · Physics 2025-10-15 Matthew T. Darby , Muhammad Saleh , Marialore Sulpizi , Clotilde S. Cucinotta

In this paper we develop a feed-back control framework for the real-time minimization of microstructures grown within the rechargeable battery. Due to quickening nature of the branched evolution, we identify the critical ramified peaks in…

Chemical Physics · Physics 2020-06-25 Asghar Aryanfar , Yara Ghamlouche , William A. Goddard

Aluminum scandium nitride (Al$_{1-x}$Sc$_x$N) is a promising material for ferroelectric devices due to its large remanent polarization, scalability, and compatibility with semiconductor technology. By doping AlN with Sc, the bonds in the…

Many key performance characteristics of carbon-based lithium-ion battery anodes are largely determined by the strength of binding between lithium (Li) and sp2 carbon (C), which can vary significantly with subtle changes in substrate…

Mesoscale and Nanoscale Physics · Physics 2015-06-18 Yuanyue Liu , Y. Morris Wang , Boris I. Yakobson , Brandon C. Wood

Through its capability for 3D mapping of Li at the nanoscale, atom probe tomography (APT) is poised to play a key role in understanding the microstructural degradation of lithium-ion batteries (LIB) during successive charge and discharge…

Materials Science · Physics 2023-09-15 Mahander P Singh , Eric V Woods , Se Ho Kim , Chanwon Jung , Leonardo S. Aota , Baptiste Gault

The ramified and stochastic evolution of dendritic microstructures has been a major issue on the safety and longevity of rechargeable batteries, particularly for the utilization high-energy metallic electrodes. We analytically develop…

Applied Physics · Physics 2019-10-16 Asghar Aryanfar , Michael R. Hoffmann , William A. Goddard

Photothermal (photonic) sintering crystallizes as-deposited amorphous LiCoO2 (LCO) cathodes for solid-state thin-film batteries using millisecond, surface-localized heating. However, process design often relies on 1D models with…

Materials Science · Physics 2026-04-28 Yang Hu , Benoit Sklénard , Wouter Vels , Yaroslav E. Romanyuk , Vladyslav Turlo

Aqueous zinc (Zn) batteries (AZBs) face significant challenges due to the limited compatibility of Zn anodes with conventional separators, leading to dendrite growth, hydrogen evolution reaction (HER), and poor cycling stability. While…

We propose a minimal nonlinear closure ODE for the dynamic active-area factor of a battery interface and show that it exhibits a saddle-node bifurcation when the smoothing rate saturates with surface roughness. The closure is the simplest…

Materials Science · Physics 2026-05-12 Changdeuck Bae

Despite advancements in silicon-based anodes for high-capacity lithium-ion batteries, their widespread commercial adoption is still hindered by significant volume expansion during cycling, especially at high active mass loadings crucial for…

Identifying overpotential components of electrochemical systems enables quantitative analysis of polarization contributions of kinetic processes under practical operating conditions. However, the inherently coupled kinetic processes lead to…

Chemical Physics · Physics 2022-07-25 Ruoyu Xiong , Yue Yu , Shuyi Chen , Maoyuan Li , Longhui Li , Mengyuan Zhou , Wen Zhang , Bo Yan , Dequn Li , Hui Yang , Yun Zhang , Huamin Zhou

Understanding over-limiting current (faster than diffusion) is a long-standing challenge in electrochemistry with applications in desalination and energy storage. Known mechanisms involve either chemical or hydrodynamic instabilities in…

Chemical Physics · Physics 2017-06-27 Ji-Hyung Han , Edwin Khoo , Peng Bai , Martin Z. Bazant

Thin-film photovoltaics offers a path to significantly decarbonize our energy production. Unfortunately, current materials commercialized or under development as thin-film solar cell absorbers are far from optimal as they show either low…

Periodic metallic gratings on substrates can support a range of electromagnetic modes, such as leaky waveguide, guided-resonant, and Fabry-Perot (FP) cavity modes, which can strongly modulate optical transmission under resonant excitation.…

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…

Materials Science · Physics 2019-12-04 Vikram Pande , Venkatasubramanian Viswanathan

Accurate monitoring of lithium-ion battery (LIB) degradation is essential, yet it remains challenging due to the complex, nonlinear, and time-varying nature of electrochemical aging processes. Conventional equivalent circuit models (ECMs)…

Systems and Control · Electrical Eng. & Systems 2026-05-05 Khalid Mahmud Labib , Saad Waheed , Bakhtiar Nafis , Shabbir Ahmed

Microstructural evolution of NMC secondary particles during the battery operation drives the electrochemical performance and impacts the Li-ion battery lifetime. In this work, we develop an in situ methodology using the FIB/SEM instrument…

Renewable energy is critical for combating climate change, whose first step is the storage of electricity generated from renewable energy sources. Li-ion batteries are a popular kind of storage units. Their continuous usage through…

Methodology · Statistics 2024-11-05 Youngjin Cho , Quyen Do , Pang Du , Yili Hong