2026-06-10T03:11:17Z https://archive.materialscloud.org/oai2d

oai:materialscloud.org:2479 2026-02-04T02:21:41Z openaire_data community-mcarchive

Sun, Wei Wan, Houzhao Fan, Hong Jin Zhang, Bao Yao, Jia Wu, Chao Li, Yuanjian Liu, Jia Wang, Jiaqi Xiao, Tao Zhang, Tao Cai, Daqian Wu, Jiawen Seh, Zhi Wei Xi, Shibo Wang, Hao Sun, Wei Wan, Houzhao Fan, Hong Jin 2024-12-13 Here we present an on-demand strategy for electrolytes design to surpass 99.9% Coulombic efficiency (CE) in zinc metal anode. This strategy synergizes various effects by specifically targeting the two critical factors: plating morphology and the anode-electrolyte interface. In this dataset, we simulated the solvation structures and bilayer structures of various electrolytes by molecular dynamics simulations. We found Triethyl phosphate and dimethylformamide can induce the free-water-poor inner Helmholtz plane and reduce the interfacial water activity. Furthermore, the MD results imply that the dual-salt introduces more anions into the Zn2+ primary solvation sheath, and the DMF co-solvent is also able to enter the solvation sheath. application/zip application/zip text/markdown https://doi.org/10.24435/materialscloud:qz-e6 oai:materialscloud.org:2479 mcid:2024.201 eng Materials Cloud https://doi.org/10.1038/s41467-024-55657-1 https://archive.materialscloud.org/communities/mcarchive https://doi.org/10.24435/materialscloud:t4-ky info:eu-repo/semantics/openAccess Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode molecular dynamics electrolyte batteries Electrolyte design for reversible zinc metal chemistry info:eu-repo/semantics/other