Matches in SemOpenAlex for { <https://semopenalex.org/work/W2040984929> ?p ?o ?g. }
- W2040984929 endingPage "1139" @default.
- W2040984929 startingPage "1131" @default.
- W2040984929 abstract "Local electronic states around hydrogen and acceptor ions in SrZrO3 are simulated by the DV-Xα molecular orbital method to examine their effects on protonic conductivity. The calculated ioncities of the acceptor dopant ion, M, and the surrounding six oxygen ions, O(i) (i=1–6) are found to change largely with M in the doped oxide, where M’s are Yb, Y, In, Al and Ga. There is a clear tendency that the protonic conductivity decreases as these ionocities around the dopant ion, M, deviate further from the ones around the Zr ion in un-doped oxide. Also, in a geometrical viewpoint, the bond order between M and O(i) (i=1–6) ions is another indication to control the protonic conductivity. The presence of the slightly weaker M–O(i) bond than the Zr–O bond causes small expansion of the MO6 octahedron, and then gives a nearly symmetrical position for proton to move readily to the neighboring oxygen sites. These results are also found in the other oxides, BaZrO3 and CaZrO3. Both the ionicity and the bond order are indeed useful parameters for the design of perovskite-type oxides with high protonic conductivity." @default.
- W2040984929 created "2016-06-24" @default.
- W2040984929 creator A5025260258 @default.
- W2040984929 creator A5030173434 @default.
- W2040984929 creator A5031117576 @default.
- W2040984929 creator A5032616275 @default.
- W2040984929 creator A5057180752 @default.
- W2040984929 date "2005-01-01" @default.
- W2040984929 modified "2023-09-26" @default.
- W2040984929 title "Local Electronic Structure and Protonic Conductivity in Perovskite-Type Oxide, SrZrO<SUB>3</SUB>" @default.
- W2040984929 cites W153929871 @default.
- W2040984929 cites W1549983561 @default.
- W2040984929 cites W1650728208 @default.
- W2040984929 cites W1875689429 @default.
- W2040984929 cites W1964931743 @default.
- W2040984929 cites W1967824245 @default.
- W2040984929 cites W1968392598 @default.
- W2040984929 cites W1968440105 @default.
- W2040984929 cites W1972533801 @default.
- W2040984929 cites W1973200613 @default.
- W2040984929 cites W1974033130 @default.
- W2040984929 cites W1974608909 @default.
- W2040984929 cites W1984476385 @default.
- W2040984929 cites W1991113734 @default.
- W2040984929 cites W1993871946 @default.
- W2040984929 cites W1994791512 @default.
- W2040984929 cites W1999502246 @default.
- W2040984929 cites W2006173260 @default.
- W2040984929 cites W2017952532 @default.
- W2040984929 cites W2020156627 @default.
- W2040984929 cites W2024923820 @default.
- W2040984929 cites W2026583085 @default.
- W2040984929 cites W2031333896 @default.
- W2040984929 cites W2031678893 @default.
- W2040984929 cites W2032186345 @default.
- W2040984929 cites W2037038923 @default.
- W2040984929 cites W2041310728 @default.
- W2040984929 cites W2043121833 @default.
- W2040984929 cites W2051606863 @default.
- W2040984929 cites W2055088714 @default.
- W2040984929 cites W2060898615 @default.
- W2040984929 cites W2069119310 @default.
- W2040984929 cites W2077866217 @default.
- W2040984929 cites W2077937071 @default.
- W2040984929 cites W2078409902 @default.
- W2040984929 cites W2081020421 @default.
- W2040984929 cites W2083315191 @default.
- W2040984929 cites W2084216712 @default.
- W2040984929 cites W2085880193 @default.
- W2040984929 cites W2087932627 @default.
- W2040984929 cites W2092649530 @default.
- W2040984929 cites W2095051386 @default.
- W2040984929 cites W2127788559 @default.
- W2040984929 doi "https://doi.org/10.2320/matertrans.46.1131" @default.
- W2040984929 hasPublicationYear "2005" @default.
- W2040984929 type Work @default.
- W2040984929 sameAs 2040984929 @default.
- W2040984929 citedByCount "2" @default.
- W2040984929 crossrefType "journal-article" @default.
- W2040984929 hasAuthorship W2040984929A5025260258 @default.
- W2040984929 hasAuthorship W2040984929A5030173434 @default.
- W2040984929 hasAuthorship W2040984929A5031117576 @default.
- W2040984929 hasAuthorship W2040984929A5032616275 @default.
- W2040984929 hasAuthorship W2040984929A5057180752 @default.
- W2040984929 hasBestOaLocation W20409849291 @default.
- W2040984929 hasConcept C115624301 @default.
- W2040984929 hasConcept C121332964 @default.
- W2040984929 hasConcept C131540310 @default.
- W2040984929 hasConcept C138679309 @default.
- W2040984929 hasConcept C145148216 @default.
- W2040984929 hasConcept C147789679 @default.
- W2040984929 hasConcept C155011858 @default.
- W2040984929 hasConcept C155860418 @default.
- W2040984929 hasConcept C17525397 @default.
- W2040984929 hasConcept C178790620 @default.
- W2040984929 hasConcept C179104552 @default.
- W2040984929 hasConcept C185592680 @default.
- W2040984929 hasConcept C191897082 @default.
- W2040984929 hasConcept C191952053 @default.
- W2040984929 hasConcept C192562407 @default.
- W2040984929 hasConcept C198819137 @default.
- W2040984929 hasConcept C26873012 @default.
- W2040984929 hasConcept C2779851234 @default.
- W2040984929 hasConcept C2779892579 @default.
- W2040984929 hasConcept C49040817 @default.
- W2040984929 hasConcept C54516573 @default.
- W2040984929 hasConcept C57863236 @default.
- W2040984929 hasConcept C62520636 @default.
- W2040984929 hasConcept C68801617 @default.
- W2040984929 hasConcept C8010536 @default.
- W2040984929 hasConceptScore W2040984929C115624301 @default.
- W2040984929 hasConceptScore W2040984929C121332964 @default.
- W2040984929 hasConceptScore W2040984929C131540310 @default.
- W2040984929 hasConceptScore W2040984929C138679309 @default.
- W2040984929 hasConceptScore W2040984929C145148216 @default.
- W2040984929 hasConceptScore W2040984929C147789679 @default.
- W2040984929 hasConceptScore W2040984929C155011858 @default.
- W2040984929 hasConceptScore W2040984929C155860418 @default.