Molecular Dynamics Simulations of PEO-LiTFSI Polymer Electrolytes With Various Chain Lengths Confined Between Uncharged Electrodes
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Data set containing molecular dynamics (MD) simulations performed with Gromacs to investigate the effect of polymer chain length on the atomistic structure and dynamics of PEO-LiTFSI polymer electrolytes in the vicinity of uncharged, graphite-like model electrodes. PEO = Methoxy-terminated poly(ethylene oxide), sometimes also abbreviated as PEGDME for polyethylene glycol dimethyl etherLiTFSI = 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
