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24 results for “Polymer Electrolytes”
Molecular Dynamics Simulations of PEO-LiTFSI Polymer Electrolytes With Various Chain Lengths and Salt Concentrations Confined Between Charged Electrodes With Various Surface Charges: Plots
<p>Plots of the data contained in the data sets</p> <ul> <li>Uncharged electrodes: <ul> <li><a href="https://doi.org/10.5281/zenodo.13164944">https://doi.org/10.5281/zenodo.13164944</a>:<br>Molecular Dynamics Simulations of PEO-LiTFSI Polymer Electrolytes With Various Chain Lengths Confined Between Uncharged Electrodes</li> <li><a href="https://doi.org/10.5281/zenodo.13165450">https://doi.org/10.5281/zenodo.13165450</a>:<br>Molecular Dynamics Simulations of Monoglyme-LiTFSI Liquid Electrolytes With Various Salt Concentrations Confined Between Uncharged Electrodes</li> <li><a href="https://doi.org/10.5281/zenodo.13165725">https://doi.org/10.5281/zenodo.13165725</a>:<br>Molecular Dynamics Simulations of Tetraglyme-LiTFSI Liquid Electrolytes With Various Salt Concentrations Confined Between Uncharged Electrodes</li> <li><a href="https://doi.org/10.5281/zenodo.13166024">https://doi.org/10.5281/zenodo.13166024</a>:<br>Molecular Dynamics Simulations of PEO-LiTFSI Polymer Electrolytes With Various Salt Concentrations Confined Between Uncharged Electrodes</li> </ul> </li> <li>Charged electrodes: <ul> <li><a href="https://doi.org/10.5281/zenodo.13166152">https://doi.org/10.5281/zenodo.13166152</a>:<br>Molecular Dynamics Simulations of PEO-LiTFSI Polymer Electrolytes With Various Chain Lengths Confined Between Charged Electrodes (+/- 1.00 e/nm²)</li> <li><a href="https://doi.org/10.5281/zenodo.13167128">https://doi.org/10.5281/zenodo.13167128</a>:<br>Molecular Dynamics Simulations of Monoglyme-LiTFSI Liquid Electrolytes With Various Salt Concentrations Confined Between Charged Electrodes (+/- 1.00 e/nm²)</li> <li><a href="https://doi.org/10.5281/zenodo.13167338">https://doi.org/10.5281/zenodo.13167338</a>:<br>Molecular Dynamics Simulations of Tetraglyme-LiTFSI Liquid Electrolytes With Various Salt Concentrations Confined Between Charged Electrodes (+/- 1.00 e/nm²)</li> <li><a href="https://doi.org/10.5281/zenodo.13167551">https://doi.org/10.5281/zenodo.13167551</a>:<br>Molecular Dynamics Simulations of PEO-LiTFSI Polymer Electrolytes With Various Salt Concentrations Confined Between Charged Electrodes (+/- 1.00 e/nm²)</li> <li><a href="https://doi.org/10.5281/zenodo.13167614">https://doi.org/10.5281/zenodo.13167614</a>:<br>Molecular Dynamics Simulations of PEO-LiTFSI Polymer Electrolytes With Various Chain Lengths Confined Between Charged Electrodes With Various Surface Charges</li> </ul> </li> </ul>
Molecular Dynamics Simulations of PEO-LiTFSI Polymer Electrolytes With Various Chain Lengths Confined Between Charged Electrodes With Various Surface Charges
<p>Data set containing molecular dynamics (MD) simulations performed with <a href="https://www.gromacs.org/">Gromacs</a> to investigate the effect of polymer chain length and electrode surface charge on the atomistic structure and dynamics of PEO-LiTFSI polymer electrolytes in the vicinity of charged, graphite-like model electrodes. The model electrodes carry a surface charge of +/- 0.25 e/nm², +/- 0.50 e/nm² and +/- 0.75 e/nm². Data for surface charges of +/- 0.00 e/nm² and +/- 1.00 e/nm² are contained in <a href="https://doi.org/10.5281/zenodo.13164944">https://doi.org/10.5281/zenodo.13164944</a> and <a href="https://doi.org/10.5281/zenodo.13166152">https://doi.org/10.5281/zenodo.13166152</a>, respectively.</p> <p>PEO = Methoxy-terminated poly(ethylene oxide), sometimes also abbreviated as PEGDME for polyethylene glycol dimethyl ether<br>LiTFSI = Lithium bis(trifluoromethanesulfonyl)imide, sometimes also abbreviated as Li[NTf2].</p> <p>The data set contains:</p> <ul> <li>Gromacs input and output files (except trajectories due to their huge filesize)</li> <li>Processed data</li> </ul>
Molecular Dynamics Simulations of PEO-LiTFSI Polymer Electrolytes With Various Chain Lengths Confined Between Charged Electrodes (+/- 1.00 e/nm²)
<p>Data set containing molecular dynamics (MD) simulations performed with <a href="https://www.gromacs.org/">Gromacs</a> to investigate the effect of polymer chain length on the atomistic structure and dynamics of PEO-LiTFSI polymer electrolytes in the vicinity of charged, graphite-like model electrodes. The model electrodes carry a surface charge of +/- 1.00 e/nm².</p> <p>PEO = Methoxy-terminated poly(ethylene oxide), sometimes also abbreviated as PEGDME for polyethylene glycol dimethyl ether<br>LiTFSI = Lithium bis(trifluoromethanesulfonyl)imide, sometimes also abbreviated as Li[NTf2].</p> <p>The data set contains:</p> <ul> <li>Gromacs input and output files (except trajectories due to their huge filesize)</li> <li>Processed data</li> </ul>
Molecular Dynamics Simulations of PEO-LiTFSI Polymer Electrolytes With Various Salt Concentrations Confined Between Charged Electrodes (+/- 1.00 e/nm²)
<p>Data set containing molecular dynamics (MD) simulations performed with <a href="https://www.gromacs.org/">Gromacs</a> to investigate the effect of salt concentration on the atomistic structure and dynamics of PEO-LiTFSI polymer electrolytes in the vicinity of charged, graphite-like model electrodes. The model electrodes carry a surface charge of +/- 1.00 e/nm².</p> <p>PEO = Methoxy-terminated poly(ethylene oxide), sometimes also abbreviated as PEGDME for polyethylene glycol dimethyl ether<br>LiTFSI = Lithium bis(trifluoromethanesulfonyl)imide, sometimes also abbreviated as Li[NTf2].</p> <p>The data set contains:</p> <ul> <li>Gromacs input and output files (except trajectories due to their huge filesize)</li> <li>Processed data</li> </ul>
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