FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3154277592> ?p ?o ?g. }

• W3154277592 abstract "We have studied two interchange layer systems, (i) free standing partly hydrogenated graphene (graphone), and (ii) graphone on the Nickel (111) surface, to assess various density functional theory based computational schemes incorporating van der Waals forces. The various van der Waals methods have been employed ranging from the semiempirical force-field-like correction of Grimme, through non-local van der Waals density functionals, up to the functionals involving exact exchange and the random phase approximation for the correlation. Generally, all computational schemes lead to a similar qualitative picture of hydrogen layer physisorption and chemisorption to graphene. The largest discrepancies between the approaches emerge for the energetics of the investigated systems. Our studies shed light on the physical mechanisms of graphene hydrogenation both in vacuum and in the proximity of metallic surface. In particular, it is revealed that the adsorption of hydrogen atoms affects the nature of the bonding between graphene and the Ni(111) surface, from the weak to strong semi-covalent bonding. On the other hand, it turns out that the adsorption of hydrogen layer to graphene is stronger in the presence of the metallic surface." @default.
• W3154277592 created "2021-04-26" @default.
• W3154277592 creator A5053264793 @default.
• W3154277592 creator A5058752672 @default.
• W3154277592 creator A5058858210 @default.
• W3154277592 creator A5071592322 @default.
• W3154277592 date "2017-07-31" @default.
• W3154277592 modified "2023-09-27" @default.
• W3154277592 title "Assessment of approaches for dispersive forces employing graphone as a case study" @default.
• W3154277592 cites W1840376913 @default.
• W3154277592 cites W1862221011 @default.
• W3154277592 cites W190569364 @default.
• W3154277592 cites W1969744076 @default.
• W3154277592 cites W1970127494 @default.
• W3154277592 cites W1979544533 @default.
• W3154277592 cites W1981368803 @default.
• W3154277592 cites W1985719004 @default.
• W3154277592 cites W1988320534 @default.
• W3154277592 cites W1988505296 @default.
• W3154277592 cites W2000997255 @default.
• W3154277592 cites W2003193361 @default.
• W3154277592 cites W2007395042 @default.
• W3154277592 cites W2012304502 @default.
• W3154277592 cites W2014935324 @default.
• W3154277592 cites W2020753702 @default.
• W3154277592 cites W2021416379 @default.
• W3154277592 cites W2024089572 @default.
• W3154277592 cites W2026907619 @default.
• W3154277592 cites W2030976617 @default.
• W3154277592 cites W2036330668 @default.
• W3154277592 cites W2038261361 @default.
• W3154277592 cites W2044591029 @default.
• W3154277592 cites W2056868386 @default.
• W3154277592 cites W2059885388 @default.
• W3154277592 cites W2063302920 @default.
• W3154277592 cites W2066966625 @default.
• W3154277592 cites W2077362243 @default.
• W3154277592 cites W2085073175 @default.
• W3154277592 cites W2085111837 @default.
• W3154277592 cites W2088434378 @default.
• W3154277592 cites W2092157292 @default.
• W3154277592 cites W2096421416 @default.
• W3154277592 cites W2096747776 @default.
• W3154277592 cites W2108380821 @default.
• W3154277592 cites W2120943454 @default.
• W3154277592 cites W2126421651 @default.
• W3154277592 cites W2158043072 @default.
• W3154277592 cites W2158110719 @default.
• W3154277592 cites W2170234334 @default.
• W3154277592 cites W2230728100 @default.
• W3154277592 cites W2320287746 @default.
• W3154277592 cites W2329570430 @default.
• W3154277592 cites W2400549709 @default.
• W3154277592 cites W2562960638 @default.
• W3154277592 cites W268494184 @default.
• W3154277592 cites W84465717 @default.
• W3154277592 hasPublicationYear "2017" @default.
• W3154277592 type Work @default.
• W3154277592 sameAs 3154277592 @default.
• W3154277592 citedByCount "0" @default.
• W3154277592 crossrefType "posted-content" @default.
• W3154277592 hasAuthorship W3154277592A5053264793 @default.
• W3154277592 hasAuthorship W3154277592A5058752672 @default.
• W3154277592 hasAuthorship W3154277592A5058858210 @default.
• W3154277592 hasAuthorship W3154277592A5071592322 @default.
• W3154277592 hasConcept C112887158 @default.
• W3154277592 hasConcept C121332964 @default.
• W3154277592 hasConcept C126061179 @default.
• W3154277592 hasConcept C135654099 @default.
• W3154277592 hasConcept C147597530 @default.
• W3154277592 hasConcept C147789679 @default.
• W3154277592 hasConcept C150394285 @default.
• W3154277592 hasConcept C152365726 @default.
• W3154277592 hasConcept C159467904 @default.
• W3154277592 hasConcept C171250308 @default.
• W3154277592 hasConcept C184779094 @default.
• W3154277592 hasConcept C185424724 @default.
• W3154277592 hasConcept C185592680 @default.
• W3154277592 hasConcept C192562407 @default.
• W3154277592 hasConcept C2780050857 @default.
• W3154277592 hasConcept C30080830 @default.
• W3154277592 hasConcept C32909587 @default.
• W3154277592 hasConcept C33267525 @default.
• W3154277592 hasConcept C33790079 @default.
• W3154277592 hasConcept C512968161 @default.
• W3154277592 hasConcept C59789625 @default.
• W3154277592 hasConcept C62520636 @default.
• W3154277592 hasConcept C73683733 @default.
• W3154277592 hasConceptScore W3154277592C112887158 @default.
• W3154277592 hasConceptScore W3154277592C121332964 @default.
• W3154277592 hasConceptScore W3154277592C126061179 @default.
• W3154277592 hasConceptScore W3154277592C135654099 @default.
• W3154277592 hasConceptScore W3154277592C147597530 @default.
• W3154277592 hasConceptScore W3154277592C147789679 @default.
• W3154277592 hasConceptScore W3154277592C150394285 @default.
• W3154277592 hasConceptScore W3154277592C152365726 @default.
• W3154277592 hasConceptScore W3154277592C159467904 @default.
• W3154277592 hasConceptScore W3154277592C171250308 @default.
• W3154277592 hasConceptScore W3154277592C184779094 @default.
• W3154277592 hasConceptScore W3154277592C185424724 @default.

• next