FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2999897798> ?p ?o ?g. }

• W2999897798 abstract "We previously reported comprehensive density functional theory-molecular dynamics (DFT-MD) at 400 K to determine the composition and structure of the solid electrolyte interface (SEI) between a Li anode and [Pyr14][TFSI] ionic liquid. In this paper, we examined diffusion rates in both the Li-electrode region and SEI compact layer in smaller 83Li/2[TFSI] and larger 164Li/4[TFSI] systems. At 400 K, the Li-diffusion constant in the Li-region is 1.35 × 10−10 m2/s for 83Li/2[TFSI] and 5.64 × 10−10 m2/s for 164Li/4[TFSI], while for the SEI it is 0.33 × 10−10 m2/s and 0.22 × 10−10 m2/s, thus about one order slower in the SEI compared to the Li-region. This Li-diffusion is dominated by hopping from the neighbor shell of one F or O to the neighbor shell of another. Comparing the Li-diffusion at different temperatures, we find that the activation energy is 0.03 and 0.11 eV for the Li-region in the smaller and larger systems, respectively, while for the SEI it is 0.09 and 0.06 eV." @default.
• W2999897798 created "2020-01-23" @default.
• W2999897798 creator A5001198788 @default.
• W2999897798 creator A5001620261 @default.
• W2999897798 creator A5002604091 @default.
• W2999897798 creator A5016807292 @default.
• W2999897798 creator A5023696368 @default.
• W2999897798 creator A5028430273 @default.
• W2999897798 creator A5035627473 @default.
• W2999897798 creator A5051835161 @default.
• W2999897798 creator A5071381490 @default.
• W2999897798 creator A5079372041 @default.
• W2999897798 date "2020-01-16" @default.
• W2999897798 modified "2023-09-28" @default.
• W2999897798 title "Li-diffusion at the interface between Li-metal and [Pyr14][TFSI]-ionic liquid: <i>Ab initio</i> molecular dynamics simulations" @default.
• W2999897798 cites W1548886834 @default.
• W2999897798 cites W1969598134 @default.
• W2999897798 cites W1972645483 @default.
• W2999897798 cites W1976096304 @default.
• W2999897798 cites W1976384295 @default.
• W2999897798 cites W1976543683 @default.
• W2999897798 cites W1979544533 @default.
• W2999897798 cites W1980943924 @default.
• W2999897798 cites W1981368803 @default.
• W2999897798 cites W1984099483 @default.
• W2999897798 cites W1994766197 @default.
• W2999897798 cites W2003305206 @default.
• W2999897798 cites W2007395042 @default.
• W2999897798 cites W2015901134 @default.
• W2999897798 cites W2018527842 @default.
• W2999897798 cites W2021898191 @default.
• W2999897798 cites W2031984729 @default.
• W2999897798 cites W2041035867 @default.
• W2999897798 cites W2052501355 @default.
• W2999897798 cites W2058260338 @default.
• W2999897798 cites W2064454797 @default.
• W2999897798 cites W2065550176 @default.
• W2999897798 cites W2067233867 @default.
• W2999897798 cites W2072309698 @default.
• W2999897798 cites W2083222334 @default.
• W2999897798 cites W2086359820 @default.
• W2999897798 cites W2086983812 @default.
• W2999897798 cites W2087530895 @default.
• W2999897798 cites W2089945444 @default.
• W2999897798 cites W2092157292 @default.
• W2999897798 cites W2096747776 @default.
• W2999897798 cites W2100252608 @default.
• W2999897798 cites W2122164055 @default.
• W2999897798 cites W2122883188 @default.
• W2999897798 cites W2146639505 @default.
• W2999897798 cites W2172574721 @default.
• W2999897798 cites W2272497826 @default.
• W2999897798 cites W2316096136 @default.
• W2999897798 cites W2316705658 @default.
• W2999897798 cites W2332265417 @default.
• W2999897798 cites W2332410832 @default.
• W2999897798 cites W2345907038 @default.
• W2999897798 cites W2482240159 @default.
• W2999897798 cites W2507612971 @default.
• W2999897798 cites W2531676002 @default.
• W2999897798 cites W2604591970 @default.
• W2999897798 cites W2608660970 @default.
• W2999897798 cites W2615991977 @default.
• W2999897798 cites W2617905181 @default.
• W2999897798 cites W2622680715 @default.
• W2999897798 cites W2735637807 @default.
• W2999897798 cites W2768625827 @default.
• W2999897798 cites W2769928811 @default.
• W2999897798 cites W2796282060 @default.
• W2999897798 cites W2797452948 @default.
• W2999897798 cites W2805429523 @default.
• W2999897798 cites W2810866966 @default.
• W2999897798 cites W2886038776 @default.
• W2999897798 cites W2897987333 @default.
• W2999897798 cites W2899899143 @default.
• W2999897798 cites W2964081857 @default.
• W2999897798 doi "https://doi.org/10.1063/1.5132566" @default.
• W2999897798 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31968966" @default.
• W2999897798 hasPublicationYear "2020" @default.
• W2999897798 type Work @default.
• W2999897798 sameAs 2999897798 @default.
• W2999897798 citedByCount "8" @default.
• W2999897798 countsByYear W29998977982020 @default.
• W2999897798 countsByYear W29998977982021 @default.
• W2999897798 countsByYear W29998977982022 @default.
• W2999897798 crossrefType "journal-article" @default.
• W2999897798 hasAuthorship W2999897798A5001198788 @default.
• W2999897798 hasAuthorship W2999897798A5001620261 @default.
• W2999897798 hasAuthorship W2999897798A5002604091 @default.
• W2999897798 hasAuthorship W2999897798A5016807292 @default.
• W2999897798 hasAuthorship W2999897798A5023696368 @default.
• W2999897798 hasAuthorship W2999897798A5028430273 @default.
• W2999897798 hasAuthorship W2999897798A5035627473 @default.
• W2999897798 hasAuthorship W2999897798A5051835161 @default.
• W2999897798 hasAuthorship W2999897798A5071381490 @default.
• W2999897798 hasAuthorship W2999897798A5079372041 @default.
• W2999897798 hasBestOaLocation W29998977982 @default.
• W2999897798 hasConcept C113196181 @default.
• W2999897798 hasConcept C121332964 @default.
• W2999897798 hasConcept C145148216 @default.

• next