Matches in SemOpenAlex for { <https://semopenalex.org/work/W2649199503> ?p ?o ?g. }
- W2649199503 endingPage "548" @default.
- W2649199503 startingPage "542" @default.
- W2649199503 abstract "Adsorption of β-d-glucose onto Pt decorated carbon nanotubes (CNTs) was studied using density functional theory (DFT) methods including van der Waals (vdW) forces. Several adsorption geometries were analyzed evaluating the aptitude of different atoms fromβ-d-glucose molecule to be bonded with a Pt atom previously supported. The influence of vdW interactions in structure stabilization was also studied using overlap population (OP) and bonding order (BO) analysis. The results show strong short-range bonds between the O atoms from β-d-glucose and Pt decoration. The long-range interactions, mainly from O and H atoms from the adsorbate, demonstrate a significant contribution for stabilization of some geometric configurations. In effect, adsorption geometries where glucose interacts though the O atom of the ring or OH groups are favored by vdW forces, becoming the most stable systems. On the other hand, the geometry with the strongest OPt bond but a very small contribution from vdW interactions results less stable. DOS analysis shows the stabilization of β-d-glucose after adsorption and a strong chemical interaction with Pt/CNT." @default.
- W2649199503 created "2017-06-30" @default.
- W2649199503 creator A5019668648 @default.
- W2649199503 creator A5020556667 @default.
- W2649199503 creator A5054078678 @default.
- W2649199503 creator A5058570686 @default.
- W2649199503 creator A5087254881 @default.
- W2649199503 date "2017-11-01" @default.
- W2649199503 modified "2023-10-16" @default.
- W2649199503 title "DFT study of β-d-glucose adsorption on single-walled carbon nanotubes decorated with platinum. A bonding analysis" @default.
- W2649199503 cites W1963823766 @default.
- W2649199503 cites W1968439657 @default.
- W2649199503 cites W1970127494 @default.
- W2649199503 cites W1979544533 @default.
- W2649199503 cites W1981368803 @default.
- W2649199503 cites W1984767664 @default.
- W2649199503 cites W1992787581 @default.
- W2649199503 cites W1999319258 @default.
- W2649199503 cites W2003193361 @default.
- W2649199503 cites W2007395042 @default.
- W2649199503 cites W2014054559 @default.
- W2649199503 cites W2018135688 @default.
- W2649199503 cites W2021072813 @default.
- W2649199503 cites W2022225931 @default.
- W2649199503 cites W2024830515 @default.
- W2649199503 cites W2030601089 @default.
- W2649199503 cites W2035044167 @default.
- W2649199503 cites W2036113194 @default.
- W2649199503 cites W2039178341 @default.
- W2649199503 cites W2039881426 @default.
- W2649199503 cites W2041642574 @default.
- W2649199503 cites W2054704030 @default.
- W2649199503 cites W2055491113 @default.
- W2649199503 cites W2064501212 @default.
- W2649199503 cites W2065081924 @default.
- W2649199503 cites W2073909676 @default.
- W2649199503 cites W2081500661 @default.
- W2649199503 cites W2083222334 @default.
- W2649199503 cites W2093903390 @default.
- W2649199503 cites W2135858090 @default.
- W2649199503 cites W2230728100 @default.
- W2649199503 cites W2327170328 @default.
- W2649199503 cites W2330034317 @default.
- W2649199503 cites W2341002069 @default.
- W2649199503 cites W2342882870 @default.
- W2649199503 cites W2549760012 @default.
- W2649199503 cites W2589576432 @default.
- W2649199503 doi "https://doi.org/10.1016/j.apsusc.2017.05.227" @default.
- W2649199503 hasPublicationYear "2017" @default.
- W2649199503 type Work @default.
- W2649199503 sameAs 2649199503 @default.
- W2649199503 citedByCount "6" @default.
- W2649199503 countsByYear W26491995032018 @default.
- W2649199503 countsByYear W26491995032019 @default.
- W2649199503 countsByYear W26491995032020 @default.
- W2649199503 countsByYear W26491995032022 @default.
- W2649199503 countsByYear W26491995032023 @default.
- W2649199503 crossrefType "journal-article" @default.
- W2649199503 hasAuthorship W2649199503A5019668648 @default.
- W2649199503 hasAuthorship W2649199503A5020556667 @default.
- W2649199503 hasAuthorship W2649199503A5054078678 @default.
- W2649199503 hasAuthorship W2649199503A5058570686 @default.
- W2649199503 hasAuthorship W2649199503A5087254881 @default.
- W2649199503 hasBestOaLocation W26491995032 @default.
- W2649199503 hasConcept C104779481 @default.
- W2649199503 hasConcept C126061179 @default.
- W2649199503 hasConcept C140205800 @default.
- W2649199503 hasConcept C144024400 @default.
- W2649199503 hasConcept C147597530 @default.
- W2649199503 hasConcept C147789679 @default.
- W2649199503 hasConcept C149635348 @default.
- W2649199503 hasConcept C149923435 @default.
- W2649199503 hasConcept C150394285 @default.
- W2649199503 hasConcept C152365726 @default.
- W2649199503 hasConcept C159467904 @default.
- W2649199503 hasConcept C159985019 @default.
- W2649199503 hasConcept C161790260 @default.
- W2649199503 hasConcept C171250308 @default.
- W2649199503 hasConcept C178213299 @default.
- W2649199503 hasConcept C178790620 @default.
- W2649199503 hasConcept C185592680 @default.
- W2649199503 hasConcept C192562407 @default.
- W2649199503 hasConcept C2908647359 @default.
- W2649199503 hasConcept C32909587 @default.
- W2649199503 hasConcept C41008148 @default.
- W2649199503 hasConcept C513720949 @default.
- W2649199503 hasConcept C518104683 @default.
- W2649199503 hasConcept C58312451 @default.
- W2649199503 hasConcept C59593255 @default.
- W2649199503 hasConcept C63385615 @default.
- W2649199503 hasConcept C8010536 @default.
- W2649199503 hasConceptScore W2649199503C104779481 @default.
- W2649199503 hasConceptScore W2649199503C126061179 @default.
- W2649199503 hasConceptScore W2649199503C140205800 @default.
- W2649199503 hasConceptScore W2649199503C144024400 @default.
- W2649199503 hasConceptScore W2649199503C147597530 @default.
- W2649199503 hasConceptScore W2649199503C147789679 @default.
- W2649199503 hasConceptScore W2649199503C149635348 @default.