Matches in SemOpenAlex for { <https://semopenalex.org/work/W3206036789> ?p ?o ?g. }
Showing items 1 to 68 of
68
with 100 items per page.
- W3206036789 abstract "The formation of a solid electrolyte interphase (SEI) at the electrode/electrolyte interface substantially affects the stability and lifetime of lithium-ion batteries (LIBs). One of the methods to improve the lifetime of LIBs is by the inclusion of additive molecules to stabilize the SEI. To understand the effect of additive molecules on the initial stage of SEI formation, we compare the decomposition and oligomerization reactions of a fluoroethylene carbonate (FEC) additive on a range of oxygen functionalized graphitic anode to those of an ethylene carbonate (EC) organic electrolyte. A series of density functional theory (DFT) calculations augmented by ab-initio molecular dynamics (AIMD) simulations reveal that EC decomposition on an oxygen functionalized graphitic (1120) edge facet through an SN2 mechanism is spontaneous, even in an uncharged cell. Decomposition of EC through an SN2 reaction pathway results in alkoxide species regeneration which is responsible for continual oligomerization along the graphitic surface. In contrast, FEC prefers to decompose through an SN1 pathway, which does not promote alkoxide regeneration. The ability of FEC as an additive to suppress alkoxide regeneration results in a smaller and thinner SEI layer that is more flexible towards lithium intercalation during the charging/discharging process. In addition, the presence of different oxygen functional groups at the surface of graphite dictates the oligomerization products and LiF formation in the SEI." @default.
- W3206036789 created "2021-10-25" @default.
- W3206036789 creator A5001203301 @default.
- W3206036789 creator A5081655830 @default.
- W3206036789 date "2020-10-27" @default.
- W3206036789 modified "2023-09-24" @default.
- W3206036789 title "Effect of Fluoroethylene Carbonate Additive on the Initial Formation of Solid Electrolyte Interphase on Oxygen Functionalized Graphitic Anode in Lithium Ion Batteries" @default.
- W3206036789 doi "https://doi.org/10.26434/chemrxiv.13139585.v1" @default.
- W3206036789 hasPublicationYear "2020" @default.
- W3206036789 type Work @default.
- W3206036789 sameAs 3206036789 @default.
- W3206036789 citedByCount "0" @default.
- W3206036789 crossrefType "posted-content" @default.
- W3206036789 hasAuthorship W3206036789A5001203301 @default.
- W3206036789 hasAuthorship W3206036789A5081655830 @default.
- W3206036789 hasBestOaLocation W32060367891 @default.
- W3206036789 hasConcept C127413603 @default.
- W3206036789 hasConcept C134018914 @default.
- W3206036789 hasConcept C137824038 @default.
- W3206036789 hasConcept C147789679 @default.
- W3206036789 hasConcept C161790260 @default.
- W3206036789 hasConcept C17525397 @default.
- W3206036789 hasConcept C178790620 @default.
- W3206036789 hasConcept C179104552 @default.
- W3206036789 hasConcept C185592680 @default.
- W3206036789 hasConcept C2775991599 @default.
- W3206036789 hasConcept C2778541603 @default.
- W3206036789 hasConcept C2778839380 @default.
- W3206036789 hasConcept C42360764 @default.
- W3206036789 hasConcept C68801617 @default.
- W3206036789 hasConcept C71924100 @default.
- W3206036789 hasConcept C89395315 @default.
- W3206036789 hasConcept C96765332 @default.
- W3206036789 hasConceptScore W3206036789C127413603 @default.
- W3206036789 hasConceptScore W3206036789C134018914 @default.
- W3206036789 hasConceptScore W3206036789C137824038 @default.
- W3206036789 hasConceptScore W3206036789C147789679 @default.
- W3206036789 hasConceptScore W3206036789C161790260 @default.
- W3206036789 hasConceptScore W3206036789C17525397 @default.
- W3206036789 hasConceptScore W3206036789C178790620 @default.
- W3206036789 hasConceptScore W3206036789C179104552 @default.
- W3206036789 hasConceptScore W3206036789C185592680 @default.
- W3206036789 hasConceptScore W3206036789C2775991599 @default.
- W3206036789 hasConceptScore W3206036789C2778541603 @default.
- W3206036789 hasConceptScore W3206036789C2778839380 @default.
- W3206036789 hasConceptScore W3206036789C42360764 @default.
- W3206036789 hasConceptScore W3206036789C68801617 @default.
- W3206036789 hasConceptScore W3206036789C71924100 @default.
- W3206036789 hasConceptScore W3206036789C89395315 @default.
- W3206036789 hasConceptScore W3206036789C96765332 @default.
- W3206036789 hasFunder F4320337480 @default.
- W3206036789 hasLocation W32060367891 @default.
- W3206036789 hasOpenAccess W3206036789 @default.
- W3206036789 hasPrimaryLocation W32060367891 @default.
- W3206036789 hasRelatedWork W1967790756 @default.
- W3206036789 hasRelatedWork W1984849687 @default.
- W3206036789 hasRelatedWork W1992717050 @default.
- W3206036789 hasRelatedWork W2000816726 @default.
- W3206036789 hasRelatedWork W2003751758 @default.
- W3206036789 hasRelatedWork W2007078666 @default.
- W3206036789 hasRelatedWork W2066337155 @default.
- W3206036789 hasRelatedWork W2110281142 @default.
- W3206036789 hasRelatedWork W2189835735 @default.
- W3206036789 hasRelatedWork W4307550030 @default.
- W3206036789 isParatext "false" @default.
- W3206036789 isRetracted "false" @default.
- W3206036789 magId "3206036789" @default.
- W3206036789 workType "article" @default.