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- W1989673857 abstract "Equilibrium positions on the Li+–PEO and on the Cu++–PEO ground state potential energy surfaces have been determined by ab initio molecular dynamics. Our results confirm the previously proposed jump mechanism for ion diffusion in polymer electrolytes. The energy barriers for Li+ and Cu++ ionic diffusion along the PEO chain have been estimated." @default.
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- W1989673857 date "1998-06-15" @default.
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- W1989673857 title "Cu++ and Li+ interaction with polyethylene oxide by<i>ab initio</i>molecular dynamics" @default.
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- W1989673857 doi "https://doi.org/10.1063/1.476432" @default.
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