FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2123130802> ?p ?o ?g. }

• W2123130802 endingPage "39912" @default.
• W2123130802 startingPage "39912" @default.
• W2123130802 abstract "Tungsten carbide has been proposed to be a potential inexpensive alternative to platinum for catalyzing hydrogenation reactions. Using density functional theory (DFT) calculations, we performed a systematic study on the geometries and electronic structures of small (WC)n (n = 1–10) clusters. A cubic-like growth of WC clusters was found to be the preferred pathway. The interactions between the WC clusters and hydrogen were compared to interactions of hydrogen with the WC(0001) surface. Both atomic clusters and the crystalline surface of WC can lead to facile dissociation of H2 while the activation energy on the former is even lower; the H diffusion barrier on WC clusters was found to be significantly higher than that on the WC(0001) surface, yet both of the calculated diffusion barriers are well above the values on the platinum counterpart. The lack of hydrogen mobility may exert a profound influence on the kinetics of hydrogen for participating in reactions on WC. The desorption strength of H on (WC)n (n = 2, 4, 6, 9) at various hydrogen coverages was explored and the hydrogen saturated (WC)9 cluster was used to rationalize the catalytic formation of hydrogen tungsten bronzes. The study provides insights which may be useful for efforts to replace Pt with WC in catalytic processes involving hydrogen." @default.
• W2123130802 created "2016-06-24" @default.
• W2123130802 creator A5046598207 @default.
• W2123130802 creator A5056701199 @default.
• W2123130802 creator A5065936183 @default.
• W2123130802 creator A5074912176 @default.
• W2123130802 date "2014-08-18" @default.
• W2123130802 modified "2023-10-16" @default.
• W2123130802 title "Interactions between hydrogen and tungsten carbide: a first principles study" @default.
• W2123130802 cites W1966750682 @default.
• W2123130802 cites W1974752849 @default.
• W2123130802 cites W1981368803 @default.
• W2123130802 cites W1998285721 @default.
• W2123130802 cites W2007395042 @default.
• W2123130802 cites W2008586773 @default.
• W2123130802 cites W2011933172 @default.
• W2123130802 cites W2023340293 @default.
• W2123130802 cites W2025611237 @default.
• W2123130802 cites W2025705497 @default.
• W2123130802 cites W2036113194 @default.
• W2123130802 cites W2039948490 @default.
• W2123130802 cites W2058020696 @default.
• W2123130802 cites W2059955749 @default.
• W2123130802 cites W2061963459 @default.
• W2123130802 cites W2071955309 @default.
• W2123130802 cites W2080780488 @default.
• W2123130802 cites W2080836576 @default.
• W2123130802 cites W2081638748 @default.
• W2123130802 cites W2083222334 @default.
• W2123130802 cites W2083902760 @default.
• W2123130802 cites W2092244272 @default.
• W2123130802 cites W2093261067 @default.
• W2123130802 cites W2098843841 @default.
• W2123130802 cites W2099242078 @default.
• W2123130802 cites W2102115393 @default.
• W2123130802 cites W2122427541 @default.
• W2123130802 cites W2147768723 @default.
• W2123130802 cites W2162287352 @default.
• W2123130802 cites W2318952759 @default.
• W2123130802 cites W2324996420 @default.
• W2123130802 cites W2328129142 @default.
• W2123130802 cites W2334893612 @default.
• W2123130802 cites W68402121 @default.
• W2123130802 doi "https://doi.org/10.1039/c4ra06225f" @default.
• W2123130802 hasPublicationYear "2014" @default.
• W2123130802 type Work @default.
• W2123130802 sameAs 2123130802 @default.
• W2123130802 citedByCount "17" @default.
• W2123130802 countsByYear W21231308022016 @default.
• W2123130802 countsByYear W21231308022017 @default.
• W2123130802 countsByYear W21231308022018 @default.
• W2123130802 countsByYear W21231308022019 @default.
• W2123130802 countsByYear W21231308022020 @default.
• W2123130802 countsByYear W21231308022021 @default.
• W2123130802 countsByYear W21231308022022 @default.
• W2123130802 countsByYear W21231308022023 @default.
• W2123130802 crossrefType "journal-article" @default.
• W2123130802 hasAuthorship W2123130802A5046598207 @default.
• W2123130802 hasAuthorship W2123130802A5056701199 @default.
• W2123130802 hasAuthorship W2123130802A5065936183 @default.
• W2123130802 hasAuthorship W2123130802A5074912176 @default.
• W2123130802 hasConcept C102931765 @default.
• W2123130802 hasConcept C121332964 @default.
• W2123130802 hasConcept C147597530 @default.
• W2123130802 hasConcept C147789679 @default.
• W2123130802 hasConcept C150394285 @default.
• W2123130802 hasConcept C152365726 @default.
• W2123130802 hasConcept C161790260 @default.
• W2123130802 hasConcept C162711632 @default.
• W2123130802 hasConcept C164866538 @default.
• W2123130802 hasConcept C178790620 @default.
• W2123130802 hasConcept C179104552 @default.
• W2123130802 hasConcept C185592680 @default.
• W2123130802 hasConcept C191897082 @default.
• W2123130802 hasConcept C192562407 @default.
• W2123130802 hasConcept C199360897 @default.
• W2123130802 hasConcept C2781422231 @default.
• W2123130802 hasConcept C41008148 @default.
• W2123130802 hasConcept C512968161 @default.
• W2123130802 hasConcept C518104683 @default.
• W2123130802 hasConcept C5335593 @default.
• W2123130802 hasConcept C542268612 @default.
• W2123130802 hasConcept C68044625 @default.
• W2123130802 hasConcept C69357855 @default.
• W2123130802 hasConcept C95121573 @default.
• W2123130802 hasConcept C97355855 @default.
• W2123130802 hasConceptScore W2123130802C102931765 @default.
• W2123130802 hasConceptScore W2123130802C121332964 @default.
• W2123130802 hasConceptScore W2123130802C147597530 @default.
• W2123130802 hasConceptScore W2123130802C147789679 @default.
• W2123130802 hasConceptScore W2123130802C150394285 @default.
• W2123130802 hasConceptScore W2123130802C152365726 @default.
• W2123130802 hasConceptScore W2123130802C161790260 @default.
• W2123130802 hasConceptScore W2123130802C162711632 @default.
• W2123130802 hasConceptScore W2123130802C164866538 @default.
• W2123130802 hasConceptScore W2123130802C178790620 @default.
• W2123130802 hasConceptScore W2123130802C179104552 @default.
• W2123130802 hasConceptScore W2123130802C185592680 @default.

• next