Matches in SemOpenAlex for { <https://semopenalex.org/work/W99176522> ?p ?o ?g. }
- W99176522 abstract "The electronic structures of ${mathrm{FePO}}_{4}$ and $mathrm{Li}M{mathrm{PO}}_{4},$ where $M=mathrm{Mn},$ Fe, Co, and Ni, are studied within the framework of density-functional theory. These materials have interesting magnetic properties and have promising technological interest as cathode materials in rechargeable batteries. A comparison of results for various spin configurations suggests that the ferromagnetic configuration, while not seen experimentally, can serve as a useful approximation for studying general features of the electronic structure. The partial densities of states and contour plots of electron densities show that covalent bonding between Fe $3d$ and $mathrm{O}2p$ orbitals is greater in ${mathrm{FePO}}_{4}$ than in ${mathrm{LiFePO}}_{4}.$ Nevertheless, ${mathrm{LiFePO}}_{4}$ is calculated to have a greater binding energy than its ${mathrm{FePO}}_{4}$ and Li metal components; the corresponding open circuit voltage for the cathode discharge is calculated to be 3.2 V, which is comparable to (although smaller than) the experimentally measured value." @default.
- W99176522 created "2016-06-24" @default.
- W99176522 creator A5023810139 @default.
- W99176522 creator A5063586650 @default.
- W99176522 date "2003-10-29" @default.
- W99176522 modified "2023-09-25" @default.
- W99176522 title "Electronic structure of<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>FePO</mml:mi></mml:mrow><mml:mrow><mml:mn>4</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mo>,</mml:mo></mml:math><mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>LiFePO</mml:mi></mml:mrow><mml:mrow><mml:mn>4</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mo…" @default.
- W99176522 cites W1586795919 @default.
- W99176522 cites W1661924784 @default.
- W99176522 cites W1662595031 @default.
- W99176522 cites W1778797920 @default.
- W99176522 cites W1949231392 @default.
- W99176522 cites W1973572830 @default.
- W99176522 cites W1981368803 @default.
- W99176522 cites W1983827605 @default.
- W99176522 cites W1985466864 @default.
- W99176522 cites W1986211266 @default.
- W99176522 cites W1988762313 @default.
- W99176522 cites W2000579526 @default.
- W99176522 cites W2003151578 @default.
- W99176522 cites W2003976041 @default.
- W99176522 cites W2013465150 @default.
- W99176522 cites W2017151442 @default.
- W99176522 cites W2017235933 @default.
- W99176522 cites W2030976617 @default.
- W99176522 cites W2032842297 @default.
- W99176522 cites W2047048180 @default.
- W99176522 cites W2049079467 @default.
- W99176522 cites W2050251337 @default.
- W99176522 cites W2052637367 @default.
- W99176522 cites W2057318252 @default.
- W99176522 cites W2059942087 @default.
- W99176522 cites W2063596773 @default.
- W99176522 cites W2071056016 @default.
- W99176522 cites W2092098411 @default.
- W99176522 cites W2092201246 @default.
- W99176522 cites W2093307998 @default.
- W99176522 cites W2097535432 @default.
- W99176522 cites W2121431463 @default.
- W99176522 cites W2142208182 @default.
- W99176522 cites W2152510783 @default.
- W99176522 cites W2230728100 @default.
- W99176522 cites W3020860817 @default.
- W99176522 doi "https://doi.org/10.1103/physrevb.68.165107" @default.
- W99176522 hasPublicationYear "2003" @default.
- W99176522 type Work @default.
- W99176522 sameAs 99176522 @default.
- W99176522 citedByCount "118" @default.
- W99176522 countsByYear W991765222012 @default.
- W99176522 countsByYear W991765222013 @default.
- W99176522 countsByYear W991765222014 @default.
- W99176522 countsByYear W991765222015 @default.
- W99176522 countsByYear W991765222016 @default.
- W99176522 countsByYear W991765222017 @default.
- W99176522 countsByYear W991765222018 @default.
- W99176522 countsByYear W991765222019 @default.
- W99176522 countsByYear W991765222020 @default.
- W99176522 countsByYear W991765222021 @default.
- W99176522 countsByYear W991765222022 @default.
- W99176522 countsByYear W991765222023 @default.
- W99176522 crossrefType "journal-article" @default.
- W99176522 hasAuthorship W99176522A5023810139 @default.
- W99176522 hasAuthorship W99176522A5063586650 @default.
- W99176522 hasConcept C121332964 @default.
- W99176522 hasConcept C147789679 @default.
- W99176522 hasConcept C184779094 @default.
- W99176522 hasConcept C185592680 @default.
- W99176522 hasConcept C186370098 @default.
- W99176522 hasConcept C192562407 @default.
- W99176522 hasConcept C26873012 @default.
- W99176522 hasConcept C49110097 @default.
- W99176522 hasConcept C62520636 @default.
- W99176522 hasConcept C8010536 @default.
- W99176522 hasConcept C86025842 @default.
- W99176522 hasConceptScore W99176522C121332964 @default.
- W99176522 hasConceptScore W99176522C147789679 @default.
- W99176522 hasConceptScore W99176522C184779094 @default.
- W99176522 hasConceptScore W99176522C185592680 @default.
- W99176522 hasConceptScore W99176522C186370098 @default.
- W99176522 hasConceptScore W99176522C192562407 @default.
- W99176522 hasConceptScore W99176522C26873012 @default.
- W99176522 hasConceptScore W99176522C49110097 @default.
- W99176522 hasConceptScore W99176522C62520636 @default.
- W99176522 hasConceptScore W99176522C8010536 @default.
- W99176522 hasConceptScore W99176522C86025842 @default.
- W99176522 hasIssue "16" @default.
- W99176522 hasLocation W991765221 @default.
- W99176522 hasOpenAccess W99176522 @default.
- W99176522 hasPrimaryLocation W991765221 @default.
- W99176522 hasRelatedWork W1822129506 @default.
- W99176522 hasRelatedWork W1824871649 @default.
- W99176522 hasRelatedWork W1997086491 @default.
- W99176522 hasRelatedWork W2006715554 @default.
- W99176522 hasRelatedWork W2062432991 @default.
- W99176522 hasRelatedWork W2070677407 @default.
- W99176522 hasRelatedWork W2095055141 @default.
- W99176522 hasRelatedWork W2328906207 @default.
- W99176522 hasRelatedWork W25589906 @default.
- W99176522 hasRelatedWork W3106250382 @default.
- W99176522 hasVolume "68" @default.