FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2040759263> ?p ?o ?g. }

• W2040759263 endingPage "17175" @default.
• W2040759263 startingPage "17166" @default.
• W2040759263 abstract "Over the past decade we have witnessed a steady rise in contributions of computational quantum chemistry to the understanding of reactivity of carbon materials. Several litmus tests must be applied to this evolving body of work before it can be viewed with a sufficient degree of confidence. The results of a crucial test are presented here: formulation of thermodynamically and kinetically plausible paths for CO2 formation in the deceivingly simple reaction C + (1 − y/2)O2 = (1 − y)CO2 + yCO. A mechanism is proposed that clarifies the nature of atoms responsible for adsorption and reaction of molecular oxygen on the surface of sp2-hybridized carbons, both flat and curved, and is also consistent with the postulate that the (re)active sites are carbene- and carbyne-type carbon atoms at graphene edges. Using density functional theory and representative two-dimensional graphene clusters, a direct and an indirect route to CO2 formation were identified as both necessary and sufficient to account for key experimental observations. The former involves single-site O2 adsorption on carbene-type zigzag edges. The latter includes the presence of mobile epoxide-type oxygen on the basal plane and its insertion into an edge hexagon, analogous to the conversion of benzene oxide to oxepin; such “unzipping” of graphene and CO2 desorption is favored at oxygen-saturated edges, thus accounting for the well-documented phenomenon of induced heterogeneity of carbon reactive sites." @default.
• W2040759263 created "2016-06-24" @default.
• W2040759263 creator A5044527800 @default.
• W2040759263 date "2009-11-05" @default.
• W2040759263 modified "2023-10-18" @default.
• W2040759263 title "Active Sites in Graphene and the Mechanism of CO₂ Formation in Carbon Oxidation" @default.
• W2040759263 cites W105135779 @default.
• W2040759263 cites W1528627143 @default.
• W2040759263 cites W1572368681 @default.
• W2040759263 cites W1619980950 @default.
• W2040759263 cites W1651293046 @default.
• W2040759263 cites W174082669 @default.
• W2040759263 cites W1973180091 @default.
• W2040759263 cites W1975221364 @default.
• W2040759263 cites W1982185565 @default.
• W2040759263 cites W1988351806 @default.
• W2040759263 cites W1994415484 @default.
• W2040759263 cites W1996816651 @default.
• W2040759263 cites W1996865205 @default.
• W2040759263 cites W2011263808 @default.
• W2040759263 cites W2011931908 @default.
• W2040759263 cites W2012011731 @default.
• W2040759263 cites W2015948162 @default.
• W2040759263 cites W2020951599 @default.
• W2040759263 cites W2024338666 @default.
• W2040759263 cites W2025931031 @default.
• W2040759263 cites W2026188486 @default.
• W2040759263 cites W2027683480 @default.
• W2040759263 cites W2043464452 @default.
• W2040759263 cites W2047484948 @default.
• W2040759263 cites W2049543265 @default.
• W2040759263 cites W2054826337 @default.
• W2040759263 cites W2056931374 @default.
• W2040759263 cites W2063059290 @default.
• W2040759263 cites W2064951617 @default.
• W2040759263 cites W2065693042 @default.
• W2040759263 cites W2073453218 @default.
• W2040759263 cites W2084379905 @default.
• W2040759263 cites W2088902088 @default.
• W2040759263 cites W2094487882 @default.
• W2040759263 cites W2112323377 @default.
• W2040759263 cites W2113038536 @default.
• W2040759263 cites W2155452762 @default.
• W2040759263 cites W2156902602 @default.
• W2040759263 cites W2171700698 @default.
• W2040759263 cites W2219800 @default.
• W2040759263 cites W2749441912 @default.
• W2040759263 cites W3021864194 @default.
• W2040759263 cites W3102185872 @default.
• W2040759263 cites W4235745777 @default.
• W2040759263 cites W578894749 @default.
• W2040759263 doi "https://doi.org/10.1021/ja904731q" @default.
• W2040759263 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/19891428" @default.
• W2040759263 hasPublicationYear "2009" @default.
• W2040759263 type Work @default.
• W2040759263 sameAs 2040759263 @default.
• W2040759263 citedByCount "183" @default.
• W2040759263 countsByYear W20407592632012 @default.
• W2040759263 countsByYear W20407592632013 @default.
• W2040759263 countsByYear W20407592632014 @default.
• W2040759263 countsByYear W20407592632015 @default.
• W2040759263 countsByYear W20407592632016 @default.
• W2040759263 countsByYear W20407592632017 @default.
• W2040759263 countsByYear W20407592632018 @default.
• W2040759263 countsByYear W20407592632019 @default.
• W2040759263 countsByYear W20407592632020 @default.
• W2040759263 countsByYear W20407592632021 @default.
• W2040759263 countsByYear W20407592632022 @default.
• W2040759263 countsByYear W20407592632023 @default.
• W2040759263 crossrefType "journal-article" @default.
• W2040759263 hasAuthorship W2040759263A5044527800 @default.
• W2040759263 hasConcept C104779481 @default.
• W2040759263 hasConcept C140205800 @default.
• W2040759263 hasConcept C142724271 @default.
• W2040759263 hasConcept C147597530 @default.
• W2040759263 hasConcept C147789679 @default.
• W2040759263 hasConcept C150394285 @default.
• W2040759263 hasConcept C152365726 @default.
• W2040759263 hasConcept C159467904 @default.
• W2040759263 hasConcept C159985019 @default.
• W2040759263 hasConcept C161790260 @default.
• W2040759263 hasConcept C162711632 @default.
• W2040759263 hasConcept C171250308 @default.
• W2040759263 hasConcept C178790620 @default.
• W2040759263 hasConcept C185592680 @default.
• W2040759263 hasConcept C192562407 @default.
• W2040759263 hasConcept C204787440 @default.
• W2040759263 hasConcept C2776910235 @default.
• W2040759263 hasConcept C2777164566 @default.
• W2040759263 hasConcept C2779851234 @default.
• W2040759263 hasConcept C2780696404 @default.
• W2040759263 hasConcept C30080830 @default.
• W2040759263 hasConcept C540031477 @default.
• W2040759263 hasConcept C71924100 @default.
• W2040759263 hasConceptScore W2040759263C104779481 @default.
• W2040759263 hasConceptScore W2040759263C140205800 @default.
• W2040759263 hasConceptScore W2040759263C142724271 @default.
• W2040759263 hasConceptScore W2040759263C147597530 @default.

• next