Matches in SemOpenAlex for { <https://semopenalex.org/work/W2401067110> ?p ?o ?g. }
- W2401067110 endingPage "70" @default.
- W2401067110 startingPage "61" @default.
- W2401067110 abstract "The adsorption and decomposition mechanism of electrolyte on the cathode surface is one of the governing factors that control the stability, capacity, and cyclic life of Lithium-ion batteries. In this work, first principles calculations are used to study the adsorption and decomposition reaction mechanisms of ethylene carbonate (EC) on the (100) surface of charged (Li0.6Mn2O4), and the fully discharged LiMn2O4. The adsorption strength and electronic properties of various configurations are discussed by using density of states (DOS), projected density of states (PDOS) and electron density difference (EDD). Moreover, the initial decomposition mechanisms of EC on the surfaces is investigated by examining the minimum energy path between two minima using the climbing image nudged elastic band reaction-pathway sampling scheme. Even though adsorption and decomposition reaction can occur on the surfaces, for all configurations studied, the results show that the decomposition of EC is more likely on the charged surface despite having higher adsorption energy on the fully discharged surface. In general, this work aims to give an insight into the initial stages of surface catalyzed electrolyte decomposition reactions on spinel cathode structure." @default.
- W2401067110 created "2016-06-24" @default.
- W2401067110 creator A5037150692 @default.
- W2401067110 creator A5043806241 @default.
- W2401067110 creator A5069218280 @default.
- W2401067110 creator A5088941900 @default.
- W2401067110 creator A5091641985 @default.
- W2401067110 date "2016-08-01" @default.
- W2401067110 modified "2023-09-26" @default.
- W2401067110 title "Adsorption and Decomposition of Ethylene Carbonate on LiMn2O4 Cathode Surface" @default.
- W2401067110 cites W1539950468 @default.
- W2401067110 cites W1609339760 @default.
- W2401067110 cites W1616013527 @default.
- W2401067110 cites W1965409363 @default.
- W2401067110 cites W1970127494 @default.
- W2401067110 cites W1979419056 @default.
- W2401067110 cites W1979544533 @default.
- W2401067110 cites W1981002392 @default.
- W2401067110 cites W1981368803 @default.
- W2401067110 cites W1982035197 @default.
- W2401067110 cites W1986731219 @default.
- W2401067110 cites W1989126399 @default.
- W2401067110 cites W2001143428 @default.
- W2401067110 cites W2001388981 @default.
- W2401067110 cites W2001663948 @default.
- W2401067110 cites W2007143471 @default.
- W2401067110 cites W2007395042 @default.
- W2401067110 cites W2009128755 @default.
- W2401067110 cites W2009994680 @default.
- W2401067110 cites W2013241736 @default.
- W2401067110 cites W2017797448 @default.
- W2401067110 cites W2020980135 @default.
- W2401067110 cites W2021822179 @default.
- W2401067110 cites W2026557774 @default.
- W2401067110 cites W2032952916 @default.
- W2401067110 cites W2033523197 @default.
- W2401067110 cites W2046485312 @default.
- W2401067110 cites W2048180945 @default.
- W2401067110 cites W2048827681 @default.
- W2401067110 cites W2054704030 @default.
- W2401067110 cites W2060937228 @default.
- W2401067110 cites W2077937117 @default.
- W2401067110 cites W2078216324 @default.
- W2401067110 cites W2083222334 @default.
- W2401067110 cites W2090135568 @default.
- W2401067110 cites W2111373308 @default.
- W2401067110 cites W2117378072 @default.
- W2401067110 cites W2122427541 @default.
- W2401067110 cites W2134792364 @default.
- W2401067110 cites W2157194577 @default.
- W2401067110 cites W2166710549 @default.
- W2401067110 cites W2169211003 @default.
- W2401067110 cites W2219717644 @default.
- W2401067110 cites W2270334367 @default.
- W2401067110 cites W2313461609 @default.
- W2401067110 cites W3123821008 @default.
- W2401067110 cites W4255219034 @default.
- W2401067110 cites W4362176811 @default.
- W2401067110 doi "https://doi.org/10.1016/j.electacta.2016.05.123" @default.
- W2401067110 hasPublicationYear "2016" @default.
- W2401067110 type Work @default.
- W2401067110 sameAs 2401067110 @default.
- W2401067110 citedByCount "9" @default.
- W2401067110 countsByYear W24010671102017 @default.
- W2401067110 countsByYear W24010671102018 @default.
- W2401067110 countsByYear W24010671102019 @default.
- W2401067110 countsByYear W24010671102020 @default.
- W2401067110 countsByYear W24010671102021 @default.
- W2401067110 crossrefType "journal-article" @default.
- W2401067110 hasAuthorship W2401067110A5037150692 @default.
- W2401067110 hasAuthorship W2401067110A5043806241 @default.
- W2401067110 hasAuthorship W2401067110A5069218280 @default.
- W2401067110 hasAuthorship W2401067110A5088941900 @default.
- W2401067110 hasAuthorship W2401067110A5091641985 @default.
- W2401067110 hasConcept C124681953 @default.
- W2401067110 hasConcept C127413603 @default.
- W2401067110 hasConcept C134018914 @default.
- W2401067110 hasConcept C147789679 @default.
- W2401067110 hasConcept C150394285 @default.
- W2401067110 hasConcept C159467904 @default.
- W2401067110 hasConcept C17525397 @default.
- W2401067110 hasConcept C178790620 @default.
- W2401067110 hasConcept C179104552 @default.
- W2401067110 hasConcept C185592680 @default.
- W2401067110 hasConcept C191897082 @default.
- W2401067110 hasConcept C192562407 @default.
- W2401067110 hasConcept C2775991599 @default.
- W2401067110 hasConcept C2776230739 @default.
- W2401067110 hasConcept C2778541603 @default.
- W2401067110 hasConcept C42360764 @default.
- W2401067110 hasConcept C48333953 @default.
- W2401067110 hasConcept C49110097 @default.
- W2401067110 hasConcept C52859227 @default.
- W2401067110 hasConcept C68801617 @default.
- W2401067110 hasConcept C71924100 @default.
- W2401067110 hasConceptScore W2401067110C124681953 @default.
- W2401067110 hasConceptScore W2401067110C127413603 @default.
- W2401067110 hasConceptScore W2401067110C134018914 @default.