Matches in SemOpenAlex for { <https://semopenalex.org/work/W4306178585> ?p ?o ?g. }
- W4306178585 endingPage "37228" @default.
- W4306178585 startingPage "37221" @default.
- W4306178585 abstract "Arrangements of hydroxyl groups on graphene sheets were systematically investigated using density functional theory calculations that included van der Waals interactions. Results show that hydroxyl groups tend to gather at para-positions on graphene sheets to generate perfect ring-like hexahydroxyl group adsorption. The close proximity of hydroxyl groups is in good agreement with the experimental separation between unoxidized, aromatic and oxidized, saturated regions in graphene oxide. The orientation of hydrogen atoms in hydroxyl groups creates both O-H···O and O-H···π hydrogen bonds. Calculations also indicated that the binding energy per hydroxyl group follows a logarithmic function with respect to the number of hydroxyl groups. Besides, the opening band gap was observed for several derivatives, and the relationship between the band gap and O/C ratio was found to be nonmonotonic. Analysis of the density of states showed that bands around the Fermi levels of derivatives between graphene and hydroxyl groups are mainly composed of 2p z orbitals of carbon and oxygen atoms." @default.
- W4306178585 created "2022-10-14" @default.
- W4306178585 creator A5019765199 @default.
- W4306178585 creator A5026283177 @default.
- W4306178585 creator A5030943814 @default.
- W4306178585 creator A5053412741 @default.
- W4306178585 creator A5056852902 @default.
- W4306178585 creator A5061829889 @default.
- W4306178585 date "2022-10-14" @default.
- W4306178585 modified "2023-10-12" @default.
- W4306178585 title "How are Hydroxyl Groups Localized on a Graphene Sheet?" @default.
- W4306178585 cites W1965020427 @default.
- W4306178585 cites W1970127494 @default.
- W4306178585 cites W1972945918 @default.
- W4306178585 cites W1976863147 @default.
- W4306178585 cites W1988320534 @default.
- W4306178585 cites W2000536749 @default.
- W4306178585 cites W2003193361 @default.
- W4306178585 cites W2010971702 @default.
- W4306178585 cites W2014935324 @default.
- W4306178585 cites W2018652376 @default.
- W4306178585 cites W2019243422 @default.
- W4306178585 cites W2030677057 @default.
- W4306178585 cites W2030841140 @default.
- W4306178585 cites W2036113194 @default.
- W4306178585 cites W2047853051 @default.
- W4306178585 cites W2051094745 @default.
- W4306178585 cites W2056868386 @default.
- W4306178585 cites W2057626905 @default.
- W4306178585 cites W2088465449 @default.
- W4306178585 cites W2089905468 @default.
- W4306178585 cites W2116730433 @default.
- W4306178585 cites W2118115526 @default.
- W4306178585 cites W2123510746 @default.
- W4306178585 cites W2141484758 @default.
- W4306178585 cites W2143983498 @default.
- W4306178585 cites W2148226925 @default.
- W4306178585 cites W2158043072 @default.
- W4306178585 cites W2314017497 @default.
- W4306178585 cites W2625598473 @default.
- W4306178585 cites W2767822853 @default.
- W4306178585 cites W2898144199 @default.
- W4306178585 cites W2935722648 @default.
- W4306178585 cites W3083890682 @default.
- W4306178585 cites W3084514208 @default.
- W4306178585 cites W3102185872 @default.
- W4306178585 cites W614051619 @default.
- W4306178585 doi "https://doi.org/10.1021/acsomega.2c03447" @default.
- W4306178585 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36312358" @default.
- W4306178585 hasPublicationYear "2022" @default.
- W4306178585 type Work @default.
- W4306178585 citedByCount "1" @default.
- W4306178585 countsByYear W43061785852023 @default.
- W4306178585 crossrefType "journal-article" @default.
- W4306178585 hasAuthorship W4306178585A5019765199 @default.
- W4306178585 hasAuthorship W4306178585A5026283177 @default.
- W4306178585 hasAuthorship W4306178585A5030943814 @default.
- W4306178585 hasAuthorship W4306178585A5053412741 @default.
- W4306178585 hasAuthorship W4306178585A5056852902 @default.
- W4306178585 hasAuthorship W4306178585A5061829889 @default.
- W4306178585 hasBestOaLocation W43061785851 @default.
- W4306178585 hasConcept C104779481 @default.
- W4306178585 hasConcept C112887158 @default.
- W4306178585 hasConcept C121332964 @default.
- W4306178585 hasConcept C126061179 @default.
- W4306178585 hasConcept C139066938 @default.
- W4306178585 hasConcept C140205800 @default.
- W4306178585 hasConcept C147120987 @default.
- W4306178585 hasConcept C147597530 @default.
- W4306178585 hasConcept C147789679 @default.
- W4306178585 hasConcept C150394285 @default.
- W4306178585 hasConcept C152365726 @default.
- W4306178585 hasConcept C159985019 @default.
- W4306178585 hasConcept C171250308 @default.
- W4306178585 hasConcept C178790620 @default.
- W4306178585 hasConcept C181966813 @default.
- W4306178585 hasConcept C185592680 @default.
- W4306178585 hasConcept C189394030 @default.
- W4306178585 hasConcept C192386470 @default.
- W4306178585 hasConcept C192562407 @default.
- W4306178585 hasConcept C2776778087 @default.
- W4306178585 hasConcept C2779851234 @default.
- W4306178585 hasConcept C2780378348 @default.
- W4306178585 hasConcept C2781311116 @default.
- W4306178585 hasConcept C30080830 @default.
- W4306178585 hasConcept C32909587 @default.
- W4306178585 hasConcept C49040817 @default.
- W4306178585 hasConcept C62520636 @default.
- W4306178585 hasConcept C8010536 @default.
- W4306178585 hasConceptScore W4306178585C104779481 @default.
- W4306178585 hasConceptScore W4306178585C112887158 @default.
- W4306178585 hasConceptScore W4306178585C121332964 @default.
- W4306178585 hasConceptScore W4306178585C126061179 @default.
- W4306178585 hasConceptScore W4306178585C139066938 @default.
- W4306178585 hasConceptScore W4306178585C140205800 @default.
- W4306178585 hasConceptScore W4306178585C147120987 @default.
- W4306178585 hasConceptScore W4306178585C147597530 @default.
- W4306178585 hasConceptScore W4306178585C147789679 @default.