Molecular Dynamics Simulations of Monoglyme-LiTFSI Liquid Electrolytes With Various Salt Concentrations Confined Between Uncharged Electrodes
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下载链接：
https://zenodo.org/record/13165450
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资源简介：
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
创建时间：
2024-10-20
