Nikhil Rampal, Stephen Weitzner, Seongkoo Cho, Christine Orme, Marcus A. Worsley, Liwen Wan
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引用次数: 0
Abstract
Lithium-ion batteries (LIBs) have become a core portable energy storage technology due to their high energy density, longevity, and affordability. Nevertheless, their use in low-temperature environments is challenging due to significant Li-metal plating and dendrite growth, sluggish Li-ion desolvation kinetics, and suppressed Li-ion transport. In this study, we employ classical molecular dynamics simulations to provide a mechanistic understanding of the impact of temperature- and concentration-effects on the ionic conductivity of the prototypical battery electrolyte lithium hexafluorophosphate in ethylene carbonate (LiPF6/EC). We further investigate the interplay between temperature and ionic speciation via a graph-based clustering analysis that resolves species-specific ionic conductivity contributions. Using these findings, we formulate two fundamental design principles governing electrolyte performance: one for ambient temperature and another for low-temperature conditions. The modeling framework outlined in this work provides a foundation for identifying design principles that can be used to rationally improve the low-temperature performance of LIBs.
期刊介绍:
Energy & Environmental Science, a peer-reviewed scientific journal, publishes original research and review articles covering interdisciplinary topics in the (bio)chemical and (bio)physical sciences, as well as chemical engineering disciplines. Published monthly by the Royal Society of Chemistry (RSC), a not-for-profit publisher, Energy & Environmental Science is recognized as a leading journal. It boasts an impressive impact factor of 8.500 as of 2009, ranking 8th among 140 journals in the category "Chemistry, Multidisciplinary," second among 71 journals in "Energy & Fuels," second among 128 journals in "Engineering, Chemical," and first among 181 scientific journals in "Environmental Sciences."
Energy & Environmental Science publishes various types of articles, including Research Papers (original scientific work), Review Articles, Perspectives, and Minireviews (feature review-type articles of broad interest), Communications (original scientific work of an urgent nature), Opinions (personal, often speculative viewpoints or hypotheses on current topics), and Analysis Articles (in-depth examination of energy-related issues).