A DFT-plus-machine-learning screen of ~10,000 solvents identifies TFOMA, which, added in trace amounts to PVDF-HFP, raises conductivity to 5.5x10^-4 S cm^-1 at 30 °C, widens the voltage window to 4.5 V, and extends cycling life in lithium metal cells.
Understanding Ionic Transport in Perovskite Lithium -Ion Conductor Li 3/8Sr7/16Ta3/4Hf1/4O3: A Neutron Diffraction and Molecular Dynamics Simulation Study
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Machine Learning-Guided Screening of Advantageous Solvents for Solid Polymer Electrolytes in Lithium Metal Batteries
A DFT-plus-machine-learning screen of ~10,000 solvents identifies TFOMA, which, added in trace amounts to PVDF-HFP, raises conductivity to 5.5x10^-4 S cm^-1 at 30 °C, widens the voltage window to 4.5 V, and extends cycling life in lithium metal cells.