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Here, we present a finite element method-based scheme for solving coupled partial differential equations (PDEs) for the analysis of lithiation-induced stress in largely deformed spherical nanoparticles via the PDE module in COMSOL. We describe steps for software installation and setting PDEs, initial/boundary conditions, and mesh parameters. We then detail procedures for dividing the mesh and analyzing lithium trapping during electrochemical cycling. This protocol can also be extended to analyze a wide range of problems involving diffusion-induced stress. For complete details on the use and execution of this protocol, please refer to Li et al..
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http://dx.doi.org/10.1016/j.xpro.2024.102907 | DOI Listing |
J Colloid Interface Sci
December 2025
State Key Laboratory of Chemical Resources Engineering, Beijing Key Laboratory of Electrochemical Process and Technology for Materials, Beijing University of Chemical Technology, Beijing 100029, PR China. Electronic address:
The anisotropic lithiation-induced expansion of crystalline silicon leads to uneven volume expansion and extreme stress concentration. This issue will be effectively mitigated by employing an isotropic amorphous structure. Here, an isotropic porous amorphous silicon (aSi) was prepared using a simple and safe method, followed by mechanical mixing with graphite to form an aSi/graphite composite (aSG60).
View Article and Find Full Text PDFACS Appl Energy Mater
May 2025
J. Heyrovský Institute of Physical Chemistry, Czech Academy of Sciences, 182 23 Prague, Czech Republic.
Nanostructured silicon is considered one of the most attractive anode materials for high-energy-density Li-ion batteries (LIBs) because it can provide a high capacity and extended cycle life compared to bulk Si anodes. However, little is known about the electrochemical lithiation mechanism in nanosilicon due to the lack of suitable measurement techniques. In this study, nanostructured anodes based on Si nanoparticles (approximately 6 nm) integrated within a conductive carbon-based matrix are studied by an in situ Raman spectroelectrochemical (SEC) method in modified coin cells in LIBs.
View Article and Find Full Text PDFJ Colloid Interface Sci
August 2025
School of Material Science and Engineering, Jiangsu University, Zhenjiang 212013 Jiangsu, China. Electronic address:
Silicon (Si) is a potential fast-charging anode material for lithium-ion batteries (LIBs) due to its high energy density and suitable lithium insertion potential. However, the slow kinetics and significant volume changes during lithiation/delithiation hinder its practical application. High-entropy alloying of silicon enhances electronic conductivity and mitigates volume expansion, leading to improved rate performance.
View Article and Find Full Text PDFACS Nano
October 2024
Department of Mechanical Engineering, The Hong Kong Polytechnic University, Hung Hom, Kowloon, Hong Kong SAR 999077, China.
Lithiation, a process of inserting lithium ions into a host material, is revolutionizing nanomaterials synthesis and structural engineering as well as enhancing their performance across emerging applications, particularly valuable for large-scale synthesis of high-quality low-dimensional nanomaterials. Through a systematic investigation of the synthetic strategies and structural changes induced by lithiation, this review aims to offer a comprehensive understanding of the development, potential, and challenges associated with this promising approach. First, the basic principles of lithiation/delithiation processes will be introduced.
View Article and Find Full Text PDFNat Commun
May 2024
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Science, Beijing, 100190, China.
Electrochemical-mechanical coupling poses enormous challenges to the interfacial and structural stability but create new opportunities to design innovative all-solid-state batteries from scratch. Relying on the solid-solid constraint in the space-limited domain structure, we propose to exploit the lithiation-induced stress to drive the active materials creep, thereby improving the structural integrity. For demonstration, we fabricate the creep-type all-solid-state cathode using creepable Se material and an all-in-one rigid ionic/electronic conducting Mo6Se8 framework.
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