Matches in SemOpenAlex for { <https://semopenalex.org/work/W2008472021> ?p ?o ?g. }
- W2008472021 abstract "For isovalent impurities such as Be, Mg, Ca, Sr, and Cd and group-I element such as Na in ZnO, first-principles local-density-functional calculations show that the interstitial position of H depends on the type of impurities, either occupying a bond center (BC) site or an antibonding (AB) site adjacent to the impurity atom. The AB site is more favorable in the vicinity of Na, Ca, Sr, and Cd, while the stable position is the BC site in the case of Be. We find that both electronegativity and atomic size play a role in switching the H interstitial position between the BC and AB sites. Previous studies have suggested that two infrared lines observed at 3611 and 3326 cm−1 result from hydrogen atoms positioned at BC and AB sites, respectively. The results for the H bonding sites and defect concentrations suggest that Ca is the most probable impurity as the origin of the infrared line at 3326 cm−1. However, for impurities around which H is positioned at the AB site, the calculated local vibrational frequencies are found to be similar to within 30 cm−1, making it difficult to determine the specific impurity responsible for the 3326 cm−1 line." @default.
- W2008472021 created "2016-06-24" @default.
- W2008472021 creator A5024797558 @default.
- W2008472021 creator A5044603350 @default.
- W2008472021 creator A5054595581 @default.
- W2008472021 date "2009-09-01" @default.
- W2008472021 modified "2023-10-17" @default.
- W2008472021 title "The effect of impurities on hydrogen bonding site and local vibrational frequency in ZnO" @default.
- W2008472021 cites W1965816533 @default.
- W2008472021 cites W1966189370 @default.
- W2008472021 cites W1966303088 @default.
- W2008472021 cites W1969619515 @default.
- W2008472021 cites W1970127494 @default.
- W2008472021 cites W1971103362 @default.
- W2008472021 cites W1977040190 @default.
- W2008472021 cites W1977740123 @default.
- W2008472021 cites W1985450278 @default.
- W2008472021 cites W1985988986 @default.
- W2008472021 cites W1992733381 @default.
- W2008472021 cites W1999795568 @default.
- W2008472021 cites W2008535880 @default.
- W2008472021 cites W2017113542 @default.
- W2008472021 cites W2020193113 @default.
- W2008472021 cites W2028286456 @default.
- W2008472021 cites W2029413399 @default.
- W2008472021 cites W2029593796 @default.
- W2008472021 cites W2029612537 @default.
- W2008472021 cites W2030755194 @default.
- W2008472021 cites W2030976617 @default.
- W2008472021 cites W2033949638 @default.
- W2008472021 cites W2036113194 @default.
- W2008472021 cites W2041118328 @default.
- W2008472021 cites W2054906503 @default.
- W2008472021 cites W2069372895 @default.
- W2008472021 cites W2074937372 @default.
- W2008472021 cites W2076618482 @default.
- W2008472021 cites W2077565069 @default.
- W2008472021 cites W2079105963 @default.
- W2008472021 cites W2080572401 @default.
- W2008472021 cites W2081412360 @default.
- W2008472021 cites W2083222334 @default.
- W2008472021 cites W2092426063 @default.
- W2008472021 cites W2104180063 @default.
- W2008472021 cites W2134960271 @default.
- W2008472021 cites W2135471761 @default.
- W2008472021 cites W2138439073 @default.
- W2008472021 cites W2230728100 @default.
- W2008472021 cites W4246240480 @default.
- W2008472021 doi "https://doi.org/10.1063/1.3213387" @default.
- W2008472021 hasPublicationYear "2009" @default.
- W2008472021 type Work @default.
- W2008472021 sameAs 2008472021 @default.
- W2008472021 citedByCount "7" @default.
- W2008472021 countsByYear W20084720212012 @default.
- W2008472021 countsByYear W20084720212013 @default.
- W2008472021 countsByYear W20084720212014 @default.
- W2008472021 crossrefType "journal-article" @default.
- W2008472021 hasAuthorship W2008472021A5024797558 @default.
- W2008472021 hasAuthorship W2008472021A5044603350 @default.
- W2008472021 hasAuthorship W2008472021A5054595581 @default.
- W2008472021 hasConcept C121332964 @default.
- W2008472021 hasConcept C147120987 @default.
- W2008472021 hasConcept C149635348 @default.
- W2008472021 hasConcept C177293861 @default.
- W2008472021 hasConcept C178790620 @default.
- W2008472021 hasConcept C184779094 @default.
- W2008472021 hasConcept C185592680 @default.
- W2008472021 hasConcept C189394030 @default.
- W2008472021 hasConcept C192562407 @default.
- W2008472021 hasConcept C41008148 @default.
- W2008472021 hasConcept C49040817 @default.
- W2008472021 hasConcept C512968161 @default.
- W2008472021 hasConcept C57863236 @default.
- W2008472021 hasConcept C58312451 @default.
- W2008472021 hasConcept C60546165 @default.
- W2008472021 hasConcept C62520636 @default.
- W2008472021 hasConcept C71987851 @default.
- W2008472021 hasConcept C8010536 @default.
- W2008472021 hasConcept C95269574 @default.
- W2008472021 hasConceptScore W2008472021C121332964 @default.
- W2008472021 hasConceptScore W2008472021C147120987 @default.
- W2008472021 hasConceptScore W2008472021C149635348 @default.
- W2008472021 hasConceptScore W2008472021C177293861 @default.
- W2008472021 hasConceptScore W2008472021C178790620 @default.
- W2008472021 hasConceptScore W2008472021C184779094 @default.
- W2008472021 hasConceptScore W2008472021C185592680 @default.
- W2008472021 hasConceptScore W2008472021C189394030 @default.
- W2008472021 hasConceptScore W2008472021C192562407 @default.
- W2008472021 hasConceptScore W2008472021C41008148 @default.
- W2008472021 hasConceptScore W2008472021C49040817 @default.
- W2008472021 hasConceptScore W2008472021C512968161 @default.
- W2008472021 hasConceptScore W2008472021C57863236 @default.
- W2008472021 hasConceptScore W2008472021C58312451 @default.
- W2008472021 hasConceptScore W2008472021C60546165 @default.
- W2008472021 hasConceptScore W2008472021C62520636 @default.
- W2008472021 hasConceptScore W2008472021C71987851 @default.
- W2008472021 hasConceptScore W2008472021C8010536 @default.
- W2008472021 hasConceptScore W2008472021C95269574 @default.
- W2008472021 hasIssue "5" @default.
- W2008472021 hasLocation W20084720211 @default.