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Lithium-ion batteries rely on particulate porous electrodes to realize high performance, especially the fast-charging capability. To minimize the particle-wise reaction heterogeneities that may lead to local hot spots, deeper understandings…

Materials Science · Physics 2022-04-15 Shubham Agrawal , Peng Bai

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…

Density functional theory and ab initio molecular dynamics simulations are applied to investigate the initial steps of ethylene carbonate (EC) decomposition on spinel Li(0.6)Mn(2)O(4) (100) surfaces. EC is a key component of the electrolyte…

Materials Science · Physics 2012-09-18 Kevin Leung

Computational screening of battery electrolyte components is an extremely challenging task because very complex features like solidelectrolyte-interphase (SEI) formation and graphite exfoliation need to be taken into account at least at the…

Chemical Physics · Physics 2015-07-27 Tamara Husch , Martin Korth

We present a coupled mechanistic approach that elucidates the intricate interplay between stress and electrochemistry, enabling the prediction of the onset of instabilities in Li-metal anodes and the solid electrolyte interphase (SEI) in…

Numerical Analysis · Mathematics 2024-05-10 Shabnam Konica , Brian W. Sheldon , Vikas Srivastava

This is the first quantitative analysis of mechanical reliability of all-solid state batteries. Mechanical degradation of the solid electrolyte (SE) is caused by intercalation-induced expansion of the electrode particles, within the…

Materials Science · Physics 2017-03-16 Giovanna Bucci , Tushar Swamy , Yet-Ming Chiang , W. Craig Carter

Embedding silicon nanoparticles in an intermetallic matrix is a promising strategy to produce remarkable bulk anode materials for lithium-ion (Li-ion) batteries with low potential, high electrochemical capacity and good cycling stability.…

Materials Science · Physics 2021-01-06 Tahar Azib , Claire Thaury , Fermin Cuevas , Eric Leroy , Christian Jordy , Nicolas Marx , Michel Latroche

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.…

Materials Science · Physics 2023-04-04 Mingzhao Zhuo , Gregory Offer , Monica Marinescu

Membrane-electrode-assembly (MEA) cells with copper (Cu) cathodes show strong potential for electrochemical CO2 reduction to ethylene (C2H4), but achieving high C2H4 selectivity remains a challenge due to competing hydrogen evolution. This…

Chemical Physics · Physics 2025-09-03 Tugrul Y. Ertugrul , Woong Choi , Adam Z. Weber , Alexis T. Bell

Battery-like supercapacitors feature high power and energy densities as well as long-term capacitance retention. The utilized capacitor electrodes are thus better to have large surface areas, high conductivity, high stability, and…

Battery electrode surfaces are generally coated with electronically insulating solid films of thickness 1-50 nm. Both electrons and Li+ can move at the electrode-surface film interface in response to the voltage, which adds complexity to…

Materials Science · Physics 2015-07-10 Kevin Leung , Andrew Leenheer

Graphite, the standard commercial anode for Li-ion batteries, is thermodynamically incompatible with Na-ion batteries, leading researchers to search for alternative C-based structures (e.g., hard carbon, expanded graphite). In a simplified…

Materials Science · Physics 2026-05-15 Ihor Radchenko , Oleksandr I. Malyi

Lithium-ion batteries (LIBs) have become essential in modern energy storage; however, their performance is often limited by the stability and efficiency of their components, particularly the cathode and electrolyte. Transition metal layered…

Materials Science · Physics 2025-07-15 M. D. Hashan C. Peiris , Michael Woodcox , Diana Liepinya , Robert Shepard , Hao Liu , Manuel Smeu

This study examines the distribution and evolution of lithium in both anode and cathode materials of commercial lithium-ion coin cells subjected to high C-rate cycling, providing insights into the mechanisms of lithium loss, trapping, and…

Solid electrolytes are widely considered as the enabler of lithium metal anodes for safe, durable, and high energy density rechargeable lithium-ion batteries. Despite the promise, failure mechanisms associated with solid-state batteries are…

Applied Physics · Physics 2022-05-04 Zeeshan Ahmad , Victor Venturi , Shashank Sripad , Venkatasubramanian Viswanathan

Understanding and controlling the atomistic-level reactions governing the formation of the solid-electrolyte interphase (SEI) is crucial for the viability of next-generation solid state batteries. However, challenges persist due to…

Materials Science · Physics 2025-06-13 Jingxuan Ding , Laura Zichi , Matteo Carli , Menghang Wang , Albert Musaelian , Yu Xie , Boris Kozinsky

The electrical double layer (EDL) at aqueous solution-metal oxide interfaces critically affects many fundamental processes in electrochemistry, geology and biology, yet understanding its microscopic structure is challenging for both theory…

In this study, we present a well-defined methodology for conducting Operando X-ray absorption near-edge structure spectroscopy (XANES) in conjunction with transmission X-ray nano computed tomography (TXM-nanoCT) experiments on the…

Interfacial deposition stability between Li metal and a solid electrolyte (SE) is important in preventing interfacial contact loss, mechanical fracture, and dendrite growth in Li-metal solid-state batteries (SSB). In this work, we…

Applied Physics · Physics 2020-06-08 Qingsong Tu , Luis Barroso-Luque , Tan Shi , Gerbrand Ceder

Electrides are an emerging class of materials with highly-localized electrons in the interstices of a crystal that behave as anions. The presence of these unusual interstitial quasi-atom (ISQ) electrons leads to interesting physical and…

Materials Science · Physics 2021-03-16 L. Zhang , Q. Wu , S. Li , Y. Sun , X. Yan , Y. Chen , Hua Y. Geng
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