2026-05-26T23:32:02Z https://archive.materialscloud.org/oai2d

oai:materialscloud.org:z0wr5-ez248 2025-07-14T09:49:54Z openaire_data community-mcarchive

Sun, Yongming Ouyang, Tao Zhang, Bao Zhan, Renming Shiyu, Liu Wang, Wenyu Tu, Shuibin Hu, Yang Chen, Zihe Duan, Xiangrui Wang, Xiancheng Wang, Li Sun, Yongming 2025-07-14 <p>The substantial consumption of lithium (Li) ions and sluggish reaction kinetics at the anode detrimentally impact the deliverable energy and fast-charging capability of lithium-ion batteries (LIBs) with silicon-based anodes. The prevailing contact prelithiation method using an electrolyte medium can replenish the active Li, but it may cause materials/electrode instability and bring barrier for Li-ion transport due to the nonuniform reaction. Here we explore a contact prelithiation methodology employing cyclic carbonate mediums that can enable spatially and temporally uniform prelithiation reaction. These mediums enable a delicate equilibrium between a Li-ion diffusion and the intrinsic prelithiation reaction rate of the material throughout the electrode depth. To gain an in-depth insight into the mechanism for producing Li-ions under the contact between Li metal and cyclic carbonate solvents, we undertook molecular dynamics simulations. Our calculation results of the self-produced Li alkyl carbonates reveal that while the long-chain Li alkyl carbonates are capable of forming an extensive polymer network in FEC and participating in the formation of a stable SEI on the Li metal surface, short-chain Li alkyl carbonates can dissolve into the solvent to produce Li-ions. </p> text/markdown application/gzip text/markdown https://doi.org/10.24435/materialscloud:v9-50 oai:materialscloud.org:z0wr5-ez248 mcid:2025.109 eng Materials Cloud https://archive.materialscloud.org/communities/mcarchive https://doi.org/10.24435/materialscloud:y6-ww info:eu-repo/semantics/openAccess Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode Battery Molecular dynamics Lithium A salt-free medium facilitating electrode prelithiation towards fast-charging, high-energy lithium-ion batteries info:eu-repo/semantics/other