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 |
ACS 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.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
May 2024
School of Optoelectronic Materials & Technology, Jianghan University, Wuhan, 430056, China.
Lithium (Li) metal batteries (LMBs) are deemed as ones of the most promising energy storage devices for next electrification applications. However, the uneven Li electroplating process caused by the diffusion-limited Li transportation at the Li metal surface inherently promotes the formation of dendritic morphology and instable Li interphase, while the sluggish Li transfer kinetic can also cause lithiation-induced stress on the cathode materials suffering from serious structural stability. Herein, a novel electrolyte designing strategy is proposed to accelerate the Li transfer by introducing a trace of large organic polar molecules of lithium phytate (LP) without significantly altering the electrolyte structure.
View Article and Find Full Text PDFSTAR Protoc
March 2024
Materials Program, Department of Chemical and Materials Engineering, University of Kentucky, Lexington, KY 40506, USA. Electronic address:
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.
View Article and Find Full Text PDFACS Appl Mater Interfaces
September 2023
Electrochemical Innovation Lab, Department of Chemical Engineering, University College London, London WC1E 7JE, United Kingdom.
Solid-state batteries (SSBs) are promising alternatives to the incumbent lithium-ion technology; however, they face a unique set of challenges that must be overcome to enable their widespread adoption. These challenges include solid-solid interfaces that are highly resistive, with slow kinetics, and a tendency to form interfacial voids causing diminished cycle life due to fracture and delamination. This modeling study probes the evolution of stresses at the solid electrolyte (SE) solid-solid interfaces, by linking the chemical and mechanical material properties to their electrochemical response, which can be used as a guide to optimize the design and manufacture of silicon (Si) based SSBs.
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