Atomistic Description of Ionic Diffusion in PEO–LiTFSI: Effect of Temperature, Molecular Weight, and Ionic Concentration
Sign Up to like & getrecommendations! Published in 2018 at "Macromolecules"
DOI: 10.1021/acs.macromol.8b01753
Abstract: Understanding the ionic diffusion mechanism in polymer electrolytes is critical to the development of advanced lithium-ion batteries. We report here molecular dynamics-based characterization of structures and diffusion in poly(ethylene oxide) (PEO) with lithium and bis(trifluoromethysulfonyl)imide… read more here.
Keywords: description ionic; temperature; diffusion; peo ... See more keywords
Atomistic description of self-diffusion in molybdenum: A comparative theoretical study of non-Arrhenius behavior
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DOI: 10.1103/physrevmaterials.4.013605
Abstract: According to experimental observations, the temperature dependence of self-diffusion coefficient in most body-centered cubic metals (bcc) exhibits non-Arrhenius behavior. The origin of this behavio ... read more here.
Keywords: self diffusion; non arrhenius; atomistic description; arrhenius behavior ... See more keywords