This study integrates the Drude oscillator model into coarse-grained molecular dynamics simulations to capture features of ion solvation in polymers. Specifically, we treat coarse-grained beads as ...
Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Frontiers Science Center of Molecule Intelligent Syntheses, School of Chemistry and Molecular ...
Systematic characterizations, including FTIR and NMR, revealed the structural variations of Na-ion solvation layers and H 2 O in PAE, which decreased the H 2 O activity. DFT simulations further ...
Systematic characterizations, including FTIR and NMR, revealed the structural variations of Na-ion solvation layers and H 2 O in PAE, which decreased the H 2 O activity. DFT simulations further ...
Sodium-ion batteries for electric vehicles and energy storage are moving toward the mainstream. Wider use of these batteries could lead to lower costs, less fire risk, and less need for lithium ...