FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4224212496> ?p ?o ?g. }

• W4224212496 endingPage "413959" @default.
• W4224212496 startingPage "413959" @default.
• W4224212496 abstract "Lattice defects are common in electrode materials and may affect their structural stability and electrochemical performance. Here we use first-principles calculations based on density functional theory to investigate native cation point defects in spinel LiTi2O4, a potential candidate for anode material in lithium ion batteries. We consider vacancies, interstitials, antisite defects, Frenkel defects and some defect pairs. Our calculations show that Li interstitial, Ti interstitial, Li Frenkel defect and Li antisite are low-energy defects, and thus they would be detectable in LiTi2O4, while cation vacancies and Ti Frenkel defect are hard to form due to their high formation energy. Binding energies are calculated to illustrate whether the isolated defects will clustering or not. In addition, the effect of native defects on migration of Li is studied. We find that Li antisites can make the migration barrier of Li interstitial decreasing significantly." @default.
• W4224212496 created "2022-04-26" @default.
• W4224212496 creator A5034405469 @default.
• W4224212496 creator A5054450934 @default.
• W4224212496 creator A5081821132 @default.
• W4224212496 creator A5082236448 @default.
• W4224212496 creator A5084664174 @default.
• W4224212496 date "2022-08-01" @default.
• W4224212496 modified "2023-09-29" @default.
• W4224212496 title "First-principles studies on cation point defects in LiTi2O4" @default.
• W4224212496 cites W1777745029 @default.
• W4224212496 cites W1981368803 @default.
• W4224212496 cites W1985792664 @default.
• W4224212496 cites W1992732132 @default.
• W4224212496 cites W1993498940 @default.
• W4224212496 cites W1994524025 @default.
• W4224212496 cites W1996555234 @default.
• W4224212496 cites W2003773385 @default.
• W4224212496 cites W2004412798 @default.
• W4224212496 cites W2007395042 @default.
• W4224212496 cites W2011500205 @default.
• W4224212496 cites W2020472655 @default.
• W4224212496 cites W2021172010 @default.
• W4224212496 cites W2035107766 @default.
• W4224212496 cites W2036149219 @default.
• W4224212496 cites W2044644907 @default.
• W4224212496 cites W2048570355 @default.
• W4224212496 cites W2050365027 @default.
• W4224212496 cites W2053415618 @default.
• W4224212496 cites W2054680318 @default.
• W4224212496 cites W2059557543 @default.
• W4224212496 cites W2062331945 @default.
• W4224212496 cites W2063150298 @default.
• W4224212496 cites W2093571276 @default.
• W4224212496 cites W2122427541 @default.
• W4224212496 cites W2132406993 @default.
• W4224212496 cites W2326075145 @default.
• W4224212496 cites W2338712659 @default.
• W4224212496 cites W2754258648 @default.
• W4224212496 cites W2760608219 @default.
• W4224212496 cites W2794392449 @default.
• W4224212496 cites W2806751928 @default.
• W4224212496 cites W2887817310 @default.
• W4224212496 cites W3106537761 @default.
• W4224212496 doi "https://doi.org/10.1016/j.physb.2022.413959" @default.
• W4224212496 hasPublicationYear "2022" @default.
• W4224212496 type Work @default.
• W4224212496 citedByCount "1" @default.
• W4224212496 countsByYear W42242124962023 @default.
• W4224212496 crossrefType "journal-article" @default.
• W4224212496 hasAuthorship W4224212496A5034405469 @default.
• W4224212496 hasAuthorship W4224212496A5054450934 @default.
• W4224212496 hasAuthorship W4224212496A5081821132 @default.
• W4224212496 hasAuthorship W4224212496A5082236448 @default.
• W4224212496 hasAuthorship W4224212496A5084664174 @default.
• W4224212496 hasConcept C117915434 @default.
• W4224212496 hasConcept C121332964 @default.
• W4224212496 hasConcept C134018914 @default.
• W4224212496 hasConcept C145148216 @default.
• W4224212496 hasConcept C147597530 @default.
• W4224212496 hasConcept C147789679 @default.
• W4224212496 hasConcept C152365726 @default.
• W4224212496 hasConcept C159467904 @default.
• W4224212496 hasConcept C164675345 @default.
• W4224212496 hasConcept C17525397 @default.
• W4224212496 hasConcept C178790620 @default.
• W4224212496 hasConcept C185592680 @default.
• W4224212496 hasConcept C191897082 @default.
• W4224212496 hasConcept C192562407 @default.
• W4224212496 hasConcept C24890656 @default.
• W4224212496 hasConcept C2776230739 @default.
• W4224212496 hasConcept C2778541603 @default.
• W4224212496 hasConcept C2781204021 @default.
• W4224212496 hasConcept C49040817 @default.
• W4224212496 hasConcept C57863236 @default.
• W4224212496 hasConcept C60546165 @default.
• W4224212496 hasConcept C71924100 @default.
• W4224212496 hasConcept C8010536 @default.
• W4224212496 hasConcept C89395315 @default.
• W4224212496 hasConceptScore W4224212496C117915434 @default.
• W4224212496 hasConceptScore W4224212496C121332964 @default.
• W4224212496 hasConceptScore W4224212496C134018914 @default.
• W4224212496 hasConceptScore W4224212496C145148216 @default.
• W4224212496 hasConceptScore W4224212496C147597530 @default.
• W4224212496 hasConceptScore W4224212496C147789679 @default.
• W4224212496 hasConceptScore W4224212496C152365726 @default.
• W4224212496 hasConceptScore W4224212496C159467904 @default.
• W4224212496 hasConceptScore W4224212496C164675345 @default.
• W4224212496 hasConceptScore W4224212496C17525397 @default.
• W4224212496 hasConceptScore W4224212496C178790620 @default.
• W4224212496 hasConceptScore W4224212496C185592680 @default.
• W4224212496 hasConceptScore W4224212496C191897082 @default.
• W4224212496 hasConceptScore W4224212496C192562407 @default.
• W4224212496 hasConceptScore W4224212496C24890656 @default.
• W4224212496 hasConceptScore W4224212496C2776230739 @default.
• W4224212496 hasConceptScore W4224212496C2778541603 @default.
• W4224212496 hasConceptScore W4224212496C2781204021 @default.
• W4224212496 hasConceptScore W4224212496C49040817 @default.

• next