Matches in SemOpenAlex for { <https://semopenalex.org/work/W3003759230> ?p ?o ?g. }
- W3003759230 endingPage "3912" @default.
- W3003759230 startingPage "3905" @default.
- W3003759230 abstract "We have probed the local atomic structure of the interface between a CdSe quantum dot (QD) and a sodium silicate glass matrix. Using ab initio molecular dynamics simulations, we determined the structural properties and bond lengths, in excellent agreement with previous experimental observations. On the basis of an analysis of radial distribution functions, coordination environment, and ring structures, we demonstrate that an important structural reconstruction occurs at the interface between the CdSe QD and the glass matrix. The incorporation of the CdSe QD disrupts the Na–O bonds, while stronger SiO4 tetrahedra are reformed. The existence of the glass matrix breaks the stable 4-membered (4MR) and 6-membered (6MR) Cd–Se rings, and we observe a disassociated Cd atom migrated in the glass matrix. Besides, the formation of Se–Na and Cd–O linkages is observed at the CdSe QD/glass interface. These results significantly extend our understanding of the interfacial structure of CdSe QD-doped glasses and provide physical and chemical insight into the possible defect structure origin of CdSe QD, of interest to the fabrication of the highly luminescent CdSe QD-doped glasses." @default.
- W3003759230 created "2020-02-07" @default.
- W3003759230 creator A5013459266 @default.
- W3003759230 creator A5017103019 @default.
- W3003759230 creator A5032483419 @default.
- W3003759230 creator A5064721727 @default.
- W3003759230 date "2020-02-03" @default.
- W3003759230 modified "2023-09-24" @default.
- W3003759230 title "Ab Initio Molecular Dynamics of CdSe Quantum-Dot-Doped Glasses" @default.
- W3003759230 cites W1570476587 @default.
- W3003759230 cites W1966709566 @default.
- W3003759230 cites W1968850951 @default.
- W3003759230 cites W1977725377 @default.
- W3003759230 cites W1981368803 @default.
- W3003759230 cites W1989060947 @default.
- W3003759230 cites W1991794210 @default.
- W3003759230 cites W1992361253 @default.
- W3003759230 cites W1998324095 @default.
- W3003759230 cites W2000770615 @default.
- W3003759230 cites W2001676859 @default.
- W3003759230 cites W2013003694 @default.
- W3003759230 cites W2014166972 @default.
- W3003759230 cites W2020682222 @default.
- W3003759230 cites W2041638382 @default.
- W3003759230 cites W2043140228 @default.
- W3003759230 cites W2043646963 @default.
- W3003759230 cites W2044239232 @default.
- W3003759230 cites W2044874939 @default.
- W3003759230 cites W2057477511 @default.
- W3003759230 cites W2057574598 @default.
- W3003759230 cites W2058609620 @default.
- W3003759230 cites W2069278041 @default.
- W3003759230 cites W2090508239 @default.
- W3003759230 cites W2101661440 @default.
- W3003759230 cites W2116569679 @default.
- W3003759230 cites W2127689995 @default.
- W3003759230 cites W2147310204 @default.
- W3003759230 cites W2268638748 @default.
- W3003759230 cites W2287241256 @default.
- W3003759230 cites W2510457209 @default.
- W3003759230 cites W2525834197 @default.
- W3003759230 cites W2551776069 @default.
- W3003759230 cites W2562686621 @default.
- W3003759230 cites W2587728313 @default.
- W3003759230 cites W2595413680 @default.
- W3003759230 cites W2596665764 @default.
- W3003759230 cites W2625127792 @default.
- W3003759230 cites W2761544633 @default.
- W3003759230 cites W2763027899 @default.
- W3003759230 cites W2782408475 @default.
- W3003759230 cites W2782743074 @default.
- W3003759230 cites W2809175858 @default.
- W3003759230 cites W2917057350 @default.
- W3003759230 doi "https://doi.org/10.1021/jacs.9b12073" @default.
- W3003759230 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/32011133" @default.
- W3003759230 hasPublicationYear "2020" @default.
- W3003759230 type Work @default.
- W3003759230 sameAs 3003759230 @default.
- W3003759230 citedByCount "14" @default.
- W3003759230 countsByYear W30037592302021 @default.
- W3003759230 countsByYear W30037592302022 @default.
- W3003759230 countsByYear W30037592302023 @default.
- W3003759230 crossrefType "journal-article" @default.
- W3003759230 hasAuthorship W3003759230A5013459266 @default.
- W3003759230 hasAuthorship W3003759230A5017103019 @default.
- W3003759230 hasAuthorship W3003759230A5032483419 @default.
- W3003759230 hasAuthorship W3003759230A5064721727 @default.
- W3003759230 hasBestOaLocation W30037592302 @default.
- W3003759230 hasConcept C106487976 @default.
- W3003759230 hasConcept C124657808 @default.
- W3003759230 hasConcept C147597530 @default.
- W3003759230 hasConcept C149635348 @default.
- W3003759230 hasConcept C159467904 @default.
- W3003759230 hasConcept C159985019 @default.
- W3003759230 hasConcept C171250308 @default.
- W3003759230 hasConcept C178790620 @default.
- W3003759230 hasConcept C183971685 @default.
- W3003759230 hasConcept C185592680 @default.
- W3003759230 hasConcept C192562407 @default.
- W3003759230 hasConcept C2779947509 @default.
- W3003759230 hasConcept C2781442258 @default.
- W3003759230 hasConcept C32909587 @default.
- W3003759230 hasConcept C41008148 @default.
- W3003759230 hasConcept C43617362 @default.
- W3003759230 hasConcept C49040817 @default.
- W3003759230 hasConcept C57863236 @default.
- W3003759230 hasConcept C58312451 @default.
- W3003759230 hasConcept C59593255 @default.
- W3003759230 hasConcept C8010536 @default.
- W3003759230 hasConceptScore W3003759230C106487976 @default.
- W3003759230 hasConceptScore W3003759230C124657808 @default.
- W3003759230 hasConceptScore W3003759230C147597530 @default.
- W3003759230 hasConceptScore W3003759230C149635348 @default.
- W3003759230 hasConceptScore W3003759230C159467904 @default.
- W3003759230 hasConceptScore W3003759230C159985019 @default.
- W3003759230 hasConceptScore W3003759230C171250308 @default.
- W3003759230 hasConceptScore W3003759230C178790620 @default.
- W3003759230 hasConceptScore W3003759230C183971685 @default.