Matches in SemOpenAlex for { <https://semopenalex.org/work/W2008127527> ?p ?o ?g. }
- W2008127527 endingPage "383" @default.
- W2008127527 startingPage "377" @default.
- W2008127527 abstract "In this work, we have systematically studied the structural, energetic and electronic properties of graphene functionalized with carbene groups by using density functional theory. Introducing a low concentration of CCl2 group in graphene was studied in detail by DFT, and closed cyclopropane-like three-membered ring structure was formed, meanwhile, the potential candidate carbene groups CR2 (R = H, F, CH3, CN, NO2, OCH3, CCH, C6H5) were added to graphene sheet, and CR2 (R = H, NO2, CH3) groups were expected to be good reactive species to covalently modify graphene. The graphene functionalization with carbene groups above can open graphene's band gap. More CCl2 molecules were added to graphene, and different concentrations of CCl2 group can tune graphene's band gap. In addition, the addition of CCl2 group to graphene edges was investigated, and the stronger binding energy was found. Multiple CCl2 molecules preferred to be bound with the same edge of graphene nanoribbon. This work provides an insight into the detailed molecular mechanism of graphene functionalization with carbene groups." @default.
- W2008127527 created "2016-06-24" @default.
- W2008127527 creator A5066558796 @default.
- W2008127527 date "2014-08-01" @default.
- W2008127527 modified "2023-10-16" @default.
- W2008127527 title "Chemical functionalization of graphene by carbene cycloaddition: A density functional theory study" @default.
- W2008127527 cites W1964963822 @default.
- W2008127527 cites W1965344956 @default.
- W2008127527 cites W1965752441 @default.
- W2008127527 cites W1967632236 @default.
- W2008127527 cites W1980624747 @default.
- W2008127527 cites W1981368803 @default.
- W2008127527 cites W1982576182 @default.
- W2008127527 cites W1984434541 @default.
- W2008127527 cites W1985113992 @default.
- W2008127527 cites W1986143056 @default.
- W2008127527 cites W1988561286 @default.
- W2008127527 cites W1999652272 @default.
- W2008127527 cites W2010971702 @default.
- W2008127527 cites W2014935324 @default.
- W2008127527 cites W2015917682 @default.
- W2008127527 cites W2026055295 @default.
- W2008127527 cites W2031345202 @default.
- W2008127527 cites W2033886026 @default.
- W2008127527 cites W2036113194 @default.
- W2008127527 cites W2039948490 @default.
- W2008127527 cites W2043360724 @default.
- W2008127527 cites W2046657839 @default.
- W2008127527 cites W2046741906 @default.
- W2008127527 cites W2046758551 @default.
- W2008127527 cites W2068703527 @default.
- W2008127527 cites W2073793129 @default.
- W2008127527 cites W2078792724 @default.
- W2008127527 cites W2084781518 @default.
- W2008127527 cites W2089476667 @default.
- W2008127527 cites W2092831789 @default.
- W2008127527 cites W2100906900 @default.
- W2008127527 cites W2109668893 @default.
- W2008127527 cites W2119882629 @default.
- W2008127527 cites W2148226925 @default.
- W2008127527 cites W2149969790 @default.
- W2008127527 cites W2313868415 @default.
- W2008127527 cites W2327175048 @default.
- W2008127527 cites W2334772894 @default.
- W2008127527 cites W2335201158 @default.
- W2008127527 cites W3102008106 @default.
- W2008127527 doi "https://doi.org/10.1016/j.apsusc.2014.05.071" @default.
- W2008127527 hasPublicationYear "2014" @default.
- W2008127527 type Work @default.
- W2008127527 sameAs 2008127527 @default.
- W2008127527 citedByCount "27" @default.
- W2008127527 countsByYear W20081275272014 @default.
- W2008127527 countsByYear W20081275272015 @default.
- W2008127527 countsByYear W20081275272016 @default.
- W2008127527 countsByYear W20081275272017 @default.
- W2008127527 countsByYear W20081275272019 @default.
- W2008127527 countsByYear W20081275272020 @default.
- W2008127527 countsByYear W20081275272021 @default.
- W2008127527 countsByYear W20081275272023 @default.
- W2008127527 crossrefType "journal-article" @default.
- W2008127527 hasAuthorship W2008127527A5066558796 @default.
- W2008127527 hasConcept C115537861 @default.
- W2008127527 hasConcept C147597530 @default.
- W2008127527 hasConcept C147789679 @default.
- W2008127527 hasConcept C152365726 @default.
- W2008127527 hasConcept C161790260 @default.
- W2008127527 hasConcept C171250308 @default.
- W2008127527 hasConcept C178790620 @default.
- W2008127527 hasConcept C181966813 @default.
- W2008127527 hasConcept C185592680 @default.
- W2008127527 hasConcept C192562407 @default.
- W2008127527 hasConcept C2777164566 @default.
- W2008127527 hasConcept C2779200411 @default.
- W2008127527 hasConcept C2780378348 @default.
- W2008127527 hasConcept C30080830 @default.
- W2008127527 hasConcept C32909587 @default.
- W2008127527 hasConcept C49040817 @default.
- W2008127527 hasConceptScore W2008127527C115537861 @default.
- W2008127527 hasConceptScore W2008127527C147597530 @default.
- W2008127527 hasConceptScore W2008127527C147789679 @default.
- W2008127527 hasConceptScore W2008127527C152365726 @default.
- W2008127527 hasConceptScore W2008127527C161790260 @default.
- W2008127527 hasConceptScore W2008127527C171250308 @default.
- W2008127527 hasConceptScore W2008127527C178790620 @default.
- W2008127527 hasConceptScore W2008127527C181966813 @default.
- W2008127527 hasConceptScore W2008127527C185592680 @default.
- W2008127527 hasConceptScore W2008127527C192562407 @default.
- W2008127527 hasConceptScore W2008127527C2777164566 @default.
- W2008127527 hasConceptScore W2008127527C2779200411 @default.
- W2008127527 hasConceptScore W2008127527C2780378348 @default.
- W2008127527 hasConceptScore W2008127527C30080830 @default.
- W2008127527 hasConceptScore W2008127527C32909587 @default.
- W2008127527 hasConceptScore W2008127527C49040817 @default.
- W2008127527 hasLocation W20081275271 @default.
- W2008127527 hasOpenAccess W2008127527 @default.
- W2008127527 hasPrimaryLocation W20081275271 @default.
- W2008127527 hasRelatedWork W144716335 @default.
- W2008127527 hasRelatedWork W1566122309 @default.