FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2000337311> ?p ?o ?g. }

• W2000337311 endingPage "394" @default.
• W2000337311 startingPage "389" @default.
• W2000337311 abstract "There are many examples of defects in strongly-correlated metal oxides for which density functional theory predicts electronic structures that qualitatively disagree with experimental data. This behaviour arises from the self-interaction error inherent to standard density functionals, and is demonstrated by both p- and n-type systems where the defect state is a small polaron associated with host lattice atoms. An approximate correction is to describe the electron—electron interactions in the orbitals of interest within the DFT+U formalism. This gives improved descriptions for systems where the states of interest are well represented by atomic-like orbitals. The qualitative failure of standard DFT and corresponding improvement achieved with DFT+U is illustrated for cases where the defect state is primarily associated with localised cation f and d states (O vacancies in CeO2 and TiO2) and anion p states (Li-doped MgO). [DOI: 10.1380/ejssnt.2009.389]" @default.
• W2000337311 created "2016-06-24" @default.
• W2000337311 creator A5001681469 @default.
• W2000337311 creator A5017503270 @default.
• W2000337311 creator A5070174488 @default.
• W2000337311 date "2009-01-01" @default.
• W2000337311 modified "2023-09-27" @default.
• W2000337311 title "The Use of the &ldquo;+<i>U</i>&rdquo; Correction in Describing Defect States at Metal Oxide Surfaces: Oxygen Vacancies on CeO₂ and TiO₂, and Li-doping of MgO" @default.
• W2000337311 cites W140859039 @default.
• W2000337311 cites W1515962682 @default.
• W2000337311 cites W1627370895 @default.
• W2000337311 cites W1963891503 @default.
• W2000337311 cites W1966156734 @default.
• W2000337311 cites W1967108360 @default.
• W2000337311 cites W1979544533 @default.
• W2000337311 cites W1981368803 @default.
• W2000337311 cites W1982747359 @default.
• W2000337311 cites W1984017026 @default.
• W2000337311 cites W1984834960 @default.
• W2000337311 cites W1986731219 @default.
• W2000337311 cites W1990192170 @default.
• W2000337311 cites W1991936689 @default.
• W2000337311 cites W1996621659 @default.
• W2000337311 cites W2010983131 @default.
• W2000337311 cites W2011404653 @default.
• W2000337311 cites W2012852105 @default.
• W2000337311 cites W2014449079 @default.
• W2000337311 cites W2014700337 @default.
• W2000337311 cites W2022103115 @default.
• W2000337311 cites W2037542805 @default.
• W2000337311 cites W2043691039 @default.
• W2000337311 cites W2047331432 @default.
• W2000337311 cites W2049713917 @default.
• W2000337311 cites W2049941424 @default.
• W2000337311 cites W2050231757 @default.
• W2000337311 cites W2056254594 @default.
• W2000337311 cites W2057384193 @default.
• W2000337311 cites W2057481920 @default.
• W2000337311 cites W2059411852 @default.
• W2000337311 cites W2062387493 @default.
• W2000337311 cites W2065917903 @default.
• W2000337311 cites W2066548531 @default.
• W2000337311 cites W2070044292 @default.
• W2000337311 cites W2074073693 @default.
• W2000337311 cites W2078068304 @default.
• W2000337311 cites W2083222334 @default.
• W2000337311 cites W2086098660 @default.
• W2000337311 cites W2086458318 @default.
• W2000337311 cites W2087036488 @default.
• W2000337311 cites W2087698390 @default.
• W2000337311 cites W2088993086 @default.
• W2000337311 cites W2090698783 @default.
• W2000337311 cites W2090726023 @default.
• W2000337311 cites W2094504822 @default.
• W2000337311 cites W2095400880 @default.
• W2000337311 cites W2106477183 @default.
• W2000337311 cites W2119585240 @default.
• W2000337311 cites W2140184144 @default.
• W2000337311 cites W2249655216 @default.
• W2000337311 cites W2949523282 @default.
• W2000337311 cites W4292199627 @default.
• W2000337311 doi "https://doi.org/10.1380/ejssnt.2009.389" @default.
• W2000337311 hasPublicationYear "2009" @default.
• W2000337311 type Work @default.
• W2000337311 sameAs 2000337311 @default.
• W2000337311 citedByCount "24" @default.
• W2000337311 countsByYear W20003373112012 @default.
• W2000337311 countsByYear W20003373112014 @default.
• W2000337311 countsByYear W20003373112015 @default.
• W2000337311 countsByYear W20003373112017 @default.
• W2000337311 countsByYear W20003373112018 @default.
• W2000337311 countsByYear W20003373112019 @default.
• W2000337311 countsByYear W20003373112020 @default.
• W2000337311 countsByYear W20003373112022 @default.
• W2000337311 crossrefType "journal-article" @default.
• W2000337311 hasAuthorship W2000337311A5001681469 @default.
• W2000337311 hasAuthorship W2000337311A5017503270 @default.
• W2000337311 hasAuthorship W2000337311A5070174488 @default.
• W2000337311 hasBestOaLocation W20003373111 @default.
• W2000337311 hasConcept C121332964 @default.
• W2000337311 hasConcept C142362112 @default.
• W2000337311 hasConcept C145148216 @default.
• W2000337311 hasConcept C147120987 @default.
• W2000337311 hasConcept C147597530 @default.
• W2000337311 hasConcept C152365726 @default.
• W2000337311 hasConcept C153349607 @default.
• W2000337311 hasConcept C184779094 @default.
• W2000337311 hasConcept C185592680 @default.
• W2000337311 hasConcept C189394030 @default.
• W2000337311 hasConcept C191897082 @default.
• W2000337311 hasConcept C192562407 @default.
• W2000337311 hasConcept C24890656 @default.
• W2000337311 hasConcept C26873012 @default.
• W2000337311 hasConcept C2779851234 @default.
• W2000337311 hasConcept C2781204021 @default.
• W2000337311 hasConcept C544153396 @default.
• W2000337311 hasConcept C558565934 @default.
• W2000337311 hasConcept C62520636 @default.

• next