Molecular Dynamics Simulations of Monoglyme-LiTFSI Liquid Electrolytes With Various Salt Concentrations Confined Between Uncharged Electrodes
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Data set containing molecular dynamics (MD) simulations performed with Gromacs to investigate the effect of salt concentration on the atomistic structure and dynamics of monoglyme-LiTFSI liquid electrolytes in the vicinity of uncharged, graphite-like model electrodes. LiTFSI = Lithium bis(trifluoromethanesulfonyl)imide, sometimes also abbreviated as Li[NTf2]. The data set contains: Gromacs input and output files (except trajectories due to their huge filesize) Processed data
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Zenodo创建时间:
2024-10-20



