Matches in SemOpenAlex for { <https://semopenalex.org/work/W4229076376> ?p ?o ?g. }
- W4229076376 endingPage "19742" @default.
- W4229076376 startingPage "19732" @default.
- W4229076376 abstract "A crucial ingredient in lithium (Li) and sodium (Na)-ion batteries (LIBs and NIBs) is the electrolytes. The use of Li-metal (Na-metal) as anode in liquid electrolyte LIBs (NIBs) is constrained by several issues including thermal runway and flammability, electrolyte leakage, and limited chemical stability. Considerable effort has been devoted toward the development of solid electrolytes (SEs) and all-solid-state batteries, which are presumed to mitigate some of the issues of Li-metal(Na-metal) in contact with flammable liquid electrolytes. However, most SEs, such as Li$_3$PS$_4$, Li$_6$PS$_5$Cl and Na$_3$PS$_4$ readily decompose against the highly reducing Li-metal and Na-metal anodes. Using first-principles calculations we elucidate the stability of more than 20 solid$||$solid interfaces formed between the decomposition products of Li$_3$PS$_4$, Li$_6$PS$_5$Cl (and Na$_3$PS$_4$) against the Li-metal (Na-metal) electrode. We suggest that the work of adhesion needed to form a hetereogenous interfaces is an important descriptor to quantify the stability of interfaces. Subsequently, we clarify the atomistic origins of the resistance to Li-ion transport at interfaces of the Li-metal anode and selected decomposition products (Li$_3$P, Li$_2$S} and LiCl) of SEs, via a high-fidelity machine learned potential (MLP). Utilising an MLP enables nano-second-long molecular dynamics simulations on `large' interface models (here with 8320 atoms), but with similar accuracy to first-principles approaches. Our simulations demonstrate that the interfaces formed between Li-metal and argyrodite (e.g., Li$_6$PS$_5$Cl) decomposition products are resistive to Li-ion transport. The implications of this study are important since binary compounds are commonly found in the vicinity of Li(Na)-metal upon chemical and/or electrochemical decomposition of ternary and quaternary SEs." @default.
- W4229076376 created "2022-05-08" @default.
- W4229076376 creator A5005214293 @default.
- W4229076376 creator A5011066394 @default.
- W4229076376 creator A5050313855 @default.
- W4229076376 creator A5083662010 @default.
- W4229076376 date "2022-01-01" @default.
- W4229076376 modified "2023-10-10" @default.
- W4229076376 title "The resistive nature of decomposing interfaces of solid electrolytes with alkali metal electrodes" @default.
- W4229076376 cites W1969670420 @default.
- W4229076376 cites W1970127494 @default.
- W4229076376 cites W1972767018 @default.
- W4229076376 cites W1974482139 @default.
- W4229076376 cites W1979544533 @default.
- W4229076376 cites W1981368803 @default.
- W4229076376 cites W1991794210 @default.
- W4229076376 cites W1998995712 @default.
- W4229076376 cites W2003384345 @default.
- W4229076376 cites W2015197254 @default.
- W4229076376 cites W2017196167 @default.
- W4229076376 cites W2019465613 @default.
- W4229076376 cites W2027123129 @default.
- W4229076376 cites W2030515179 @default.
- W4229076376 cites W2032870862 @default.
- W4229076376 cites W2040959430 @default.
- W4229076376 cites W2044572229 @default.
- W4229076376 cites W2070439937 @default.
- W4229076376 cites W2083222334 @default.
- W4229076376 cites W2088210833 @default.
- W4229076376 cites W2122337292 @default.
- W4229076376 cites W2154494894 @default.
- W4229076376 cites W2167192201 @default.
- W4229076376 cites W2169211003 @default.
- W4229076376 cites W2193795818 @default.
- W4229076376 cites W2197007850 @default.
- W4229076376 cites W2217705675 @default.
- W4229076376 cites W2237868774 @default.
- W4229076376 cites W2260271013 @default.
- W4229076376 cites W2323914894 @default.
- W4229076376 cites W2466777838 @default.
- W4229076376 cites W2507796133 @default.
- W4229076376 cites W2518696367 @default.
- W4229076376 cites W2563643868 @default.
- W4229076376 cites W2593815020 @default.
- W4229076376 cites W2636773388 @default.
- W4229076376 cites W2735637807 @default.
- W4229076376 cites W2742075475 @default.
- W4229076376 cites W2749006386 @default.
- W4229076376 cites W2775270918 @default.
- W4229076376 cites W2793204661 @default.
- W4229076376 cites W2794234906 @default.
- W4229076376 cites W2796282060 @default.
- W4229076376 cites W2801019803 @default.
- W4229076376 cites W2806715593 @default.
- W4229076376 cites W2892145045 @default.
- W4229076376 cites W2913386680 @default.
- W4229076376 cites W2914354396 @default.
- W4229076376 cites W2963159296 @default.
- W4229076376 cites W2969712750 @default.
- W4229076376 cites W2993456323 @default.
- W4229076376 cites W2999696046 @default.
- W4229076376 cites W3013802265 @default.
- W4229076376 cites W3017031438 @default.
- W4229076376 cites W3023435578 @default.
- W4229076376 cites W3026602501 @default.
- W4229076376 cites W3043930215 @default.
- W4229076376 cites W3086570111 @default.
- W4229076376 cites W3093067986 @default.
- W4229076376 cites W3108493682 @default.
- W4229076376 cites W3109842544 @default.
- W4229076376 cites W3115833191 @default.
- W4229076376 cites W3128478080 @default.
- W4229076376 cites W3133680657 @default.
- W4229076376 cites W3145876454 @default.
- W4229076376 cites W3170891728 @default.
- W4229076376 cites W3174806471 @default.
- W4229076376 cites W3198555900 @default.
- W4229076376 cites W3207246534 @default.
- W4229076376 cites W4220740341 @default.
- W4229076376 doi "https://doi.org/10.1039/d2ta02202h" @default.
- W4229076376 hasPublicationYear "2022" @default.
- W4229076376 type Work @default.
- W4229076376 citedByCount "8" @default.
- W4229076376 countsByYear W42290763762022 @default.
- W4229076376 countsByYear W42290763762023 @default.
- W4229076376 crossrefType "journal-article" @default.
- W4229076376 hasAuthorship W4229076376A5005214293 @default.
- W4229076376 hasAuthorship W4229076376A5011066394 @default.
- W4229076376 hasAuthorship W4229076376A5050313855 @default.
- W4229076376 hasAuthorship W4229076376A5083662010 @default.
- W4229076376 hasBestOaLocation W42290763761 @default.
- W4229076376 hasConcept C109883240 @default.
- W4229076376 hasConcept C127413603 @default.
- W4229076376 hasConcept C147789679 @default.
- W4229076376 hasConcept C159467904 @default.
- W4229076376 hasConcept C17525397 @default.
- W4229076376 hasConcept C178790620 @default.
- W4229076376 hasConcept C179104552 @default.