Matches in SemOpenAlex for { <https://semopenalex.org/work/W2946428006> ?p ?o ?g. }
- W2946428006 endingPage "502" @default.
- W2946428006 startingPage "497" @default.
- W2946428006 abstract "Nanocomposites of α-Fe2O3 (hematite) and (N-doped) graphene oxide (GO) were investigated using first-principles calculations with focus on structure, chemical bonding, electronic structure and H2O adsorption. The nanocomposites were modeled as the interface between the α-Fe2O3 (0 0 0 1) surface and the basal plane of reduced graphene oxide, comprising epoxy groups (C:O ratio of 8) as well as graphitic and pyridinic nitrogen doping. The composite structures exhibited strong chemical bonding by the formation of a bridging Fe–O–C bond. The calculated binding energy between the materials was −0.56 eV per Fe–O–C bond for GO and up to −1.14 eV for N-doped GO, and the binding energies were found to correlate with the charge of the bridging oxide ion. The composites exhibited partly occupied carbon states close to or above the α-Fe2O3 valence band maximum. Dissociative adsorption of H2O was found to be more exothermic for the composites compared to the individual materials, ranging from about −0.9 to −1.7 eV for the most stable configurations with hydroxide species adsorbed to GO and protons forming NH groups or adsorbed to the α-Fe2O3 surface." @default.
- W2946428006 created "2019-05-29" @default.
- W2946428006 creator A5023112369 @default.
- W2946428006 creator A5069147182 @default.
- W2946428006 date "2019-11-01" @default.
- W2946428006 modified "2023-10-05" @default.
- W2946428006 title "Robust nanocomposites of α-Fe2O3 and N-doped graphene oxide: Interfacial bonding and chemisorption of H2O" @default.
- W2946428006 cites W1269782791 @default.
- W2946428006 cites W1705344437 @default.
- W2946428006 cites W1865573416 @default.
- W2946428006 cites W1970127494 @default.
- W2946428006 cites W1971764791 @default.
- W2946428006 cites W1979544533 @default.
- W2946428006 cites W1981368803 @default.
- W2946428006 cites W1986731219 @default.
- W2946428006 cites W1991149034 @default.
- W2946428006 cites W1993811411 @default.
- W2946428006 cites W2002374587 @default.
- W2946428006 cites W2005476131 @default.
- W2946428006 cites W2014025437 @default.
- W2946428006 cites W2019439218 @default.
- W2946428006 cites W2027563442 @default.
- W2946428006 cites W2038726293 @default.
- W2946428006 cites W2041344833 @default.
- W2946428006 cites W2042352197 @default.
- W2946428006 cites W2044591029 @default.
- W2946428006 cites W2052590416 @default.
- W2946428006 cites W2059767343 @default.
- W2946428006 cites W2076509548 @default.
- W2946428006 cites W2084807127 @default.
- W2946428006 cites W2087499116 @default.
- W2946428006 cites W2092157292 @default.
- W2946428006 cites W2092810539 @default.
- W2946428006 cites W2096703707 @default.
- W2946428006 cites W2111639451 @default.
- W2946428006 cites W2123830103 @default.
- W2946428006 cites W2129146317 @default.
- W2946428006 cites W2168949190 @default.
- W2946428006 cites W2169486309 @default.
- W2946428006 cites W2186954752 @default.
- W2946428006 cites W2234436659 @default.
- W2946428006 cites W2235780471 @default.
- W2946428006 cites W2276817629 @default.
- W2946428006 cites W2313668054 @default.
- W2946428006 cites W2317728381 @default.
- W2946428006 cites W2318882985 @default.
- W2946428006 cites W2323461351 @default.
- W2946428006 cites W2328851052 @default.
- W2946428006 cites W2404725544 @default.
- W2946428006 cites W2522148231 @default.
- W2946428006 cites W2548020764 @default.
- W2946428006 cites W2556270006 @default.
- W2946428006 cites W2583314923 @default.
- W2946428006 cites W2610658609 @default.
- W2946428006 cites W2612240144 @default.
- W2946428006 cites W2767661873 @default.
- W2946428006 cites W2789829474 @default.
- W2946428006 cites W2792478498 @default.
- W2946428006 cites W2800799121 @default.
- W2946428006 cites W2806954361 @default.
- W2946428006 cites W2883154431 @default.
- W2946428006 cites W2962725875 @default.
- W2946428006 cites W601897223 @default.
- W2946428006 doi "https://doi.org/10.1016/j.carbon.2019.05.033" @default.
- W2946428006 hasPublicationYear "2019" @default.
- W2946428006 type Work @default.
- W2946428006 sameAs 2946428006 @default.
- W2946428006 citedByCount "11" @default.
- W2946428006 countsByYear W29464280062019 @default.
- W2946428006 countsByYear W29464280062020 @default.
- W2946428006 countsByYear W29464280062021 @default.
- W2946428006 countsByYear W29464280062022 @default.
- W2946428006 countsByYear W29464280062023 @default.
- W2946428006 crossrefType "journal-article" @default.
- W2946428006 hasAuthorship W2946428006A5023112369 @default.
- W2946428006 hasAuthorship W2946428006A5069147182 @default.
- W2946428006 hasBestOaLocation W29464280061 @default.
- W2946428006 hasConcept C121332964 @default.
- W2946428006 hasConcept C147789679 @default.
- W2946428006 hasConcept C150394285 @default.
- W2946428006 hasConcept C159985019 @default.
- W2946428006 hasConcept C171250308 @default.
- W2946428006 hasConcept C178213299 @default.
- W2946428006 hasConcept C178790620 @default.
- W2946428006 hasConcept C179104552 @default.
- W2946428006 hasConcept C184779094 @default.
- W2946428006 hasConcept C185592680 @default.
- W2946428006 hasConcept C191897082 @default.
- W2946428006 hasConcept C192562407 @default.
- W2946428006 hasConcept C2775896084 @default.
- W2946428006 hasConcept C2779851234 @default.
- W2946428006 hasConcept C30080830 @default.
- W2946428006 hasConcept C33790079 @default.
- W2946428006 hasConcept C49040817 @default.
- W2946428006 hasConcept C57863236 @default.
- W2946428006 hasConcept C92880739 @default.
- W2946428006 hasConcept C93282013 @default.
- W2946428006 hasConceptScore W2946428006C121332964 @default.