Matches in SemOpenAlex for { <https://semopenalex.org/work/W3210136037> ?p ?o ?g. }
- W3210136037 endingPage "044014" @default.
- W3210136037 startingPage "044014" @default.
- W3210136037 abstract "Graphdiynes (GDYs) represent a class of 2D carbon materials based on sp-sp2 hybridization with appealing properties and potential applications. Recent advances have demonstrated the experimental self-assembly of GDYs on metal substrates. Here we focus on α- and β-GDYs on Au(111) and Pt(111), and investigate how their electronic and vibrational properties are affected by the interaction with a metal substrate. We adopt hydrogenated GDY, previously characterized experimentally, as a benchmark for density functional theory simulations, that we apply to show that Au and Pt substrates impose a different degree of distortion on both α- and β-GDY. By comparing the adsorbed and the freestanding structures, we evaluate the effect of the surface interaction on the bandstructure and the simulated Raman spectra. Different charge transfers result in different energy shift of the Dirac cone in semi-metallic α-GDY and changes from semiconducting to metallic behavior for β-GDY. These changes in electronic properties are accompanied by characteristic frequency shifts and modifications of Raman active modes. Our results contribute in the understanding of the metal-interaction effects on GDYs and can open a route to the design of novel 2D materials with tailored properties." @default.
- W3210136037 created "2021-11-08" @default.
- W3210136037 creator A5008991086 @default.
- W3210136037 creator A5023415731 @default.
- W3210136037 creator A5049777696 @default.
- W3210136037 creator A5055932535 @default.
- W3210136037 creator A5075093713 @default.
- W3210136037 creator A5076721992 @default.
- W3210136037 creator A5086476643 @default.
- W3210136037 date "2021-09-30" @default.
- W3210136037 modified "2023-09-24" @default.
- W3210136037 title "Graphdiynes interacting with metal surfaces: first-principles electronic and vibrational properties" @default.
- W3210136037 cites W1412386274 @default.
- W3210136037 cites W1967883617 @default.
- W3210136037 cites W1976481724 @default.
- W3210136037 cites W1981368803 @default.
- W3210136037 cites W1981432390 @default.
- W3210136037 cites W1981571982 @default.
- W3210136037 cites W2008423326 @default.
- W3210136037 cites W2016662710 @default.
- W3210136037 cites W2022245133 @default.
- W3210136037 cites W2040306273 @default.
- W3210136037 cites W2044591029 @default.
- W3210136037 cites W2073223588 @default.
- W3210136037 cites W2112411400 @default.
- W3210136037 cites W2178651669 @default.
- W3210136037 cites W2258047439 @default.
- W3210136037 cites W2336004132 @default.
- W3210136037 cites W2336122295 @default.
- W3210136037 cites W2467212810 @default.
- W3210136037 cites W2739613546 @default.
- W3210136037 cites W2742685874 @default.
- W3210136037 cites W2756081118 @default.
- W3210136037 cites W2767858178 @default.
- W3210136037 cites W2805679883 @default.
- W3210136037 cites W2883885113 @default.
- W3210136037 cites W2893795324 @default.
- W3210136037 cites W2903983084 @default.
- W3210136037 cites W2907047726 @default.
- W3210136037 cites W2928356463 @default.
- W3210136037 cites W2949575083 @default.
- W3210136037 cites W2975742619 @default.
- W3210136037 cites W2999306046 @default.
- W3210136037 cites W3028217844 @default.
- W3210136037 cites W3082952064 @default.
- W3210136037 cites W3103013862 @default.
- W3210136037 cites W3104385947 @default.
- W3210136037 cites W3105112747 @default.
- W3210136037 cites W3112822309 @default.
- W3210136037 cites W3119208597 @default.
- W3210136037 cites W3129637615 @default.
- W3210136037 cites W3157460466 @default.
- W3210136037 cites W3177026051 @default.
- W3210136037 cites W3185702465 @default.
- W3210136037 doi "https://doi.org/10.1088/2053-1583/ac26ad" @default.
- W3210136037 hasPublicationYear "2021" @default.
- W3210136037 type Work @default.
- W3210136037 sameAs 3210136037 @default.
- W3210136037 citedByCount "4" @default.
- W3210136037 countsByYear W32101360372022 @default.
- W3210136037 crossrefType "journal-article" @default.
- W3210136037 hasAuthorship W3210136037A5008991086 @default.
- W3210136037 hasAuthorship W3210136037A5023415731 @default.
- W3210136037 hasAuthorship W3210136037A5049777696 @default.
- W3210136037 hasAuthorship W3210136037A5055932535 @default.
- W3210136037 hasAuthorship W3210136037A5075093713 @default.
- W3210136037 hasAuthorship W3210136037A5076721992 @default.
- W3210136037 hasAuthorship W3210136037A5086476643 @default.
- W3210136037 hasBestOaLocation W32101360372 @default.
- W3210136037 hasConcept C111368507 @default.
- W3210136037 hasConcept C120665830 @default.
- W3210136037 hasConcept C121332964 @default.
- W3210136037 hasConcept C127313418 @default.
- W3210136037 hasConcept C147597530 @default.
- W3210136037 hasConcept C152365726 @default.
- W3210136037 hasConcept C159467904 @default.
- W3210136037 hasConcept C171250308 @default.
- W3210136037 hasConcept C185592680 @default.
- W3210136037 hasConcept C191897082 @default.
- W3210136037 hasConcept C192562407 @default.
- W3210136037 hasConcept C2777289219 @default.
- W3210136037 hasConcept C40003534 @default.
- W3210136037 hasConcept C41999313 @default.
- W3210136037 hasConcept C544153396 @default.
- W3210136037 hasConcept C86025842 @default.
- W3210136037 hasConceptScore W3210136037C111368507 @default.
- W3210136037 hasConceptScore W3210136037C120665830 @default.
- W3210136037 hasConceptScore W3210136037C121332964 @default.
- W3210136037 hasConceptScore W3210136037C127313418 @default.
- W3210136037 hasConceptScore W3210136037C147597530 @default.
- W3210136037 hasConceptScore W3210136037C152365726 @default.
- W3210136037 hasConceptScore W3210136037C159467904 @default.
- W3210136037 hasConceptScore W3210136037C171250308 @default.
- W3210136037 hasConceptScore W3210136037C185592680 @default.
- W3210136037 hasConceptScore W3210136037C191897082 @default.
- W3210136037 hasConceptScore W3210136037C192562407 @default.
- W3210136037 hasConceptScore W3210136037C2777289219 @default.
- W3210136037 hasConceptScore W3210136037C40003534 @default.