Matches in SemOpenAlex for { <https://semopenalex.org/work/W2009403980> ?p ?o ?g. }
- W2009403980 endingPage "801" @default.
- W2009403980 startingPage "795" @default.
- W2009403980 abstract "The energetic stability of diamond (100) surfaces, as a function of degree of hydrogen- and oxygen-related termination, has been studied theoretically using ab initio density functional theory. The results show that an exchange of hydrogen adsorbates with hydroxyl groups is slightly disfavored, whereas a corresponding exchange with oxygen atoms in ketone formations is energetically preferred. The adsorption of oxygen atoms in ether positions are, for surface coverage up to about 50%, largely disfavored compared to a fully H-terminated surface. This oxygen-termination will be energetically improved as the coverage increases above the 50% level. The adsorption energy per terminating species (at 100% surface coverage) is −4.13, −4.30, −5.95, and −6.21 eV for H, OH, O(ketone), and O(ether) species, respectively." @default.
- W2009403980 created "2016-06-24" @default.
- W2009403980 creator A5048628629 @default.
- W2009403980 creator A5076807848 @default.
- W2009403980 date "2006-12-14" @default.
- W2009403980 modified "2023-10-18" @default.
- W2009403980 title "A Theoretical Study of the Energetic Stability and Geometry of Hydrogen- and Oxygen-Terminated Diamond (100) Surfaces" @default.
- W2009403980 cites W1965752441 @default.
- W2009403980 cites W1966750682 @default.
- W2009403980 cites W1968043678 @default.
- W2009403980 cites W1968199483 @default.
- W2009403980 cites W1968960144 @default.
- W2009403980 cites W1971041752 @default.
- W2009403980 cites W1971195380 @default.
- W2009403980 cites W1974207367 @default.
- W2009403980 cites W1979469621 @default.
- W2009403980 cites W1989565817 @default.
- W2009403980 cites W1992912102 @default.
- W2009403980 cites W1993671302 @default.
- W2009403980 cites W1994123896 @default.
- W2009403980 cites W1997785740 @default.
- W2009403980 cites W1997973593 @default.
- W2009403980 cites W2000248582 @default.
- W2009403980 cites W2001935586 @default.
- W2009403980 cites W2004734631 @default.
- W2009403980 cites W2004742311 @default.
- W2009403980 cites W2007204505 @default.
- W2009403980 cites W2009613453 @default.
- W2009403980 cites W2012539954 @default.
- W2009403980 cites W2015140702 @default.
- W2009403980 cites W2018303599 @default.
- W2009403980 cites W2018973769 @default.
- W2009403980 cites W2021457918 @default.
- W2009403980 cites W2030976617 @default.
- W2009403980 cites W2032943390 @default.
- W2009403980 cites W2036113194 @default.
- W2009403980 cites W2044940178 @default.
- W2009403980 cites W2047899451 @default.
- W2009403980 cites W2052219565 @default.
- W2009403980 cites W2054755813 @default.
- W2009403980 cites W2065610910 @default.
- W2009403980 cites W2068894749 @default.
- W2009403980 cites W2070769334 @default.
- W2009403980 cites W2074893464 @default.
- W2009403980 cites W2080697475 @default.
- W2009403980 cites W2087269621 @default.
- W2009403980 cites W2092545398 @default.
- W2009403980 cites W2155487103 @default.
- W2009403980 cites W2749999216 @default.
- W2009403980 cites W3206606417 @default.
- W2009403980 doi "https://doi.org/10.1021/jp063383h" @default.
- W2009403980 hasPublicationYear "2006" @default.
- W2009403980 type Work @default.
- W2009403980 sameAs 2009403980 @default.
- W2009403980 citedByCount "60" @default.
- W2009403980 countsByYear W20094039802012 @default.
- W2009403980 countsByYear W20094039802013 @default.
- W2009403980 countsByYear W20094039802014 @default.
- W2009403980 countsByYear W20094039802015 @default.
- W2009403980 countsByYear W20094039802016 @default.
- W2009403980 countsByYear W20094039802017 @default.
- W2009403980 countsByYear W20094039802018 @default.
- W2009403980 countsByYear W20094039802019 @default.
- W2009403980 countsByYear W20094039802020 @default.
- W2009403980 countsByYear W20094039802021 @default.
- W2009403980 countsByYear W20094039802022 @default.
- W2009403980 crossrefType "journal-article" @default.
- W2009403980 hasAuthorship W2009403980A5048628629 @default.
- W2009403980 hasAuthorship W2009403980A5076807848 @default.
- W2009403980 hasConcept C147597530 @default.
- W2009403980 hasConcept C147789679 @default.
- W2009403980 hasConcept C150394285 @default.
- W2009403980 hasConcept C152365726 @default.
- W2009403980 hasConcept C159467904 @default.
- W2009403980 hasConcept C178790620 @default.
- W2009403980 hasConcept C185592680 @default.
- W2009403980 hasConcept C2776921476 @default.
- W2009403980 hasConcept C2777738585 @default.
- W2009403980 hasConcept C2780407432 @default.
- W2009403980 hasConcept C2781442258 @default.
- W2009403980 hasConcept C512968161 @default.
- W2009403980 hasConcept C540031477 @default.
- W2009403980 hasConcept C8010536 @default.
- W2009403980 hasConceptScore W2009403980C147597530 @default.
- W2009403980 hasConceptScore W2009403980C147789679 @default.
- W2009403980 hasConceptScore W2009403980C150394285 @default.
- W2009403980 hasConceptScore W2009403980C152365726 @default.
- W2009403980 hasConceptScore W2009403980C159467904 @default.
- W2009403980 hasConceptScore W2009403980C178790620 @default.
- W2009403980 hasConceptScore W2009403980C185592680 @default.
- W2009403980 hasConceptScore W2009403980C2776921476 @default.
- W2009403980 hasConceptScore W2009403980C2777738585 @default.
- W2009403980 hasConceptScore W2009403980C2780407432 @default.
- W2009403980 hasConceptScore W2009403980C2781442258 @default.
- W2009403980 hasConceptScore W2009403980C512968161 @default.
- W2009403980 hasConceptScore W2009403980C540031477 @default.
- W2009403980 hasConceptScore W2009403980C8010536 @default.
- W2009403980 hasIssue "2" @default.