Molecular Dynamics Simulations of Tetraglyme-LiTFSI Liquid Electrolytes With Various Salt Concentrations Confined Between Charged Electrodes (+/- 1.00 e/nm²)

Data set containing molecular dynamics (MD) simulations performed with Gromacs to investigate the effect of salt concentration on the atomistic structure and dynamics of tetraglyme-LiTFSI liquid electrolytes in the vicinity of charged, graphite-like model electrodes. The model electrodes carry a surface charge of +/- 1.00 e/nm². 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本数据集包含采用Gromacs开展的分子动力学（molecular dynamics, MD）模拟数据，旨在探究盐浓度对带电类石墨模型电极附近的四甘醇二甲醚-LiTFSI液态电解质的原子级结构与动力学特性的影响。该模型电极的表面电荷为±1.00 e/nm²。 LiTFSI即双(三氟甲磺酰亚胺)锂（Lithium bis(trifluoromethanesulfonyl)imide），有时也可缩写为Li[NTf2]。 本数据集包含以下内容： Gromacs输入与输出文件（因轨迹文件体积过大，未纳入数据集） 经处理的数据