FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2007121008> ?p ?o ?g. }

• W2007121008 endingPage "15866" @default.
• W2007121008 startingPage "15866" @default.
• W2007121008 abstract "The structures of 15 La–Al–Si–O glasses, whose compositions span 11–28 mol% La2O3, 11–30 mol% Al2O3, and 45–78 mol% SiO2, are explored over both short and intermediate length-scales by using a combination of solid-state 27Al magic-angle spinning (MAS) nuclear magnetic resonance (NMR) spectroscopy and molecular dynamics (MD) simulations. MAS NMR reveals Al speciations dominated by AlO4 groups, with minor but significant fractions of AlO5 (5–10%) and AlO6 (≲3%) polyhedra present in all La2O3–Al2O3–SiO2 glasses; the amounts of Al[5] and Al[6] coordinations increase for decreasing molar fraction of Si. The MD simulations reproduce this compositional trend, with the fractional populations of AlOp groups (p = 4, 5, 6) according well with the experimental results. The modeled La speciations mainly involve LaO6 and LaO7 polyhedra, giving a range of average La3+ coordination numbers between 6.0 and 6.6; the latter increases slightly for decreasing Si content of the sample. Besides the expected bridging and non-bridging O species, minor contributions of oxygen triclusters (≤9%) and free O2− ions (≤4%) are observed in all MD data. The glass structures exhibit a pronounced Al/Si disorder; the MD simulations reveal essentially random SiO4–SiO4, SiO4–AlOp and AlOp–AlOq (p, q = 4, 5, 6) associations, including significant amounts of AlO4–AlO4 contacts, regardless of the nAl/nSi molar ratio of the glass. The strong violation of Al[4]–Al[4] avoidance is verified by 2D 27Al NMR experimentation that correlates double-quantum and single-quantum coherences, here applied for the first time to aluminosilicate glasses, and evidencing AlOp–AlOq connectivities dominated by AlO4–AlO4 and AlO4–AlO5 pairs. The potential bearings from distinct fictive temperatures of the experimental and modeled glass structures are discussed." @default.
• W2007121008 created "2016-06-24" @default.
• W2007121008 creator A5041549221 @default.
• W2007121008 creator A5059199705 @default.
• W2007121008 creator A5062000946 @default.
• W2007121008 creator A5073710520 @default.
• W2007121008 creator A5076204919 @default.
• W2007121008 date "2012-01-01" @default.
• W2007121008 modified "2023-10-12" @default.
• W2007121008 title "Local structures and Al/Si ordering in lanthanum aluminosilicate glasses explored by advanced 27Al NMR experiments and molecular dynamics simulations" @default.
• W2007121008 cites W1965185189 @default.
• W2007121008 cites W1967490375 @default.
• W2007121008 cites W1974190199 @default.
• W2007121008 cites W1981780870 @default.
• W2007121008 cites W1987102267 @default.
• W2007121008 cites W1991458290 @default.
• W2007121008 cites W2001452659 @default.
• W2007121008 cites W2001968078 @default.
• W2007121008 cites W2005135128 @default.
• W2007121008 cites W2008206831 @default.
• W2007121008 cites W2010243855 @default.
• W2007121008 cites W2010268516 @default.
• W2007121008 cites W2011425091 @default.
• W2007121008 cites W2012399698 @default.
• W2007121008 cites W2014416110 @default.
• W2007121008 cites W2016302011 @default.
• W2007121008 cites W2021050014 @default.
• W2007121008 cites W2024638078 @default.
• W2007121008 cites W2025803591 @default.
• W2007121008 cites W2025941098 @default.
• W2007121008 cites W2026423508 @default.
• W2007121008 cites W2030042880 @default.
• W2007121008 cites W2030145121 @default.
• W2007121008 cites W2032912264 @default.
• W2007121008 cites W2034163289 @default.
• W2007121008 cites W2042919399 @default.
• W2007121008 cites W2051894667 @default.
• W2007121008 cites W2052536292 @default.
• W2007121008 cites W2055316566 @default.
• W2007121008 cites W2059307306 @default.
• W2007121008 cites W2059630140 @default.
• W2007121008 cites W2062309573 @default.
• W2007121008 cites W2065917578 @default.
• W2007121008 cites W2067520609 @default.
• W2007121008 cites W2069257176 @default.
• W2007121008 cites W2070291163 @default.
• W2007121008 cites W2071978082 @default.
• W2007121008 cites W2075545717 @default.
• W2007121008 cites W2080122274 @default.
• W2007121008 cites W2082088289 @default.
• W2007121008 cites W2082357956 @default.
• W2007121008 cites W2085044943 @default.
• W2007121008 cites W2088031741 @default.
• W2007121008 cites W2088296086 @default.
• W2007121008 cites W2088404173 @default.
• W2007121008 cites W2088596952 @default.
• W2007121008 cites W2089217631 @default.
• W2007121008 cites W2092934452 @default.
• W2007121008 cites W2121728572 @default.
• W2007121008 cites W2128997946 @default.
• W2007121008 cites W2138103254 @default.
• W2007121008 cites W2138308030 @default.
• W2007121008 cites W2139531945 @default.
• W2007121008 cites W2158228083 @default.
• W2007121008 cites W2164581398 @default.
• W2007121008 cites W2165975801 @default.
• W2007121008 cites W2169928852 @default.
• W2007121008 cites W2244749032 @default.
• W2007121008 cites W2292343320 @default.
• W2007121008 cites W2313891393 @default.
• W2007121008 cites W2320304995 @default.
• W2007121008 doi "https://doi.org/10.1039/c2cp42858j" @default.
• W2007121008 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/23093200" @default.
• W2007121008 hasPublicationYear "2012" @default.
• W2007121008 type Work @default.
• W2007121008 sameAs 2007121008 @default.
• W2007121008 citedByCount "60" @default.
• W2007121008 countsByYear W20071210082013 @default.
• W2007121008 countsByYear W20071210082014 @default.
• W2007121008 countsByYear W20071210082015 @default.
• W2007121008 countsByYear W20071210082016 @default.
• W2007121008 countsByYear W20071210082017 @default.
• W2007121008 countsByYear W20071210082018 @default.
• W2007121008 countsByYear W20071210082019 @default.
• W2007121008 countsByYear W20071210082020 @default.
• W2007121008 countsByYear W20071210082021 @default.
• W2007121008 countsByYear W20071210082022 @default.
• W2007121008 countsByYear W20071210082023 @default.
• W2007121008 crossrefType "journal-article" @default.
• W2007121008 hasAuthorship W2007121008A5041549221 @default.
• W2007121008 hasAuthorship W2007121008A5059199705 @default.
• W2007121008 hasAuthorship W2007121008A5062000946 @default.
• W2007121008 hasAuthorship W2007121008A5073710520 @default.
• W2007121008 hasAuthorship W2007121008A5076204919 @default.
• W2007121008 hasConcept C111429119 @default.
• W2007121008 hasConcept C121332964 @default.
• W2007121008 hasConcept C145148216 @default.
• W2007121008 hasConcept C147597530 @default.

• next