Matches in SemOpenAlex for { <https://semopenalex.org/work/W1490076103> ?p ?o ?g. }
Showing items 1 to 80 of
80
with 100 items per page.
- W1490076103 abstract "The current work seeks to identify novel, catalytically-active, stable, poison-resistant LWGS catalysts that retain the superior activity typical of conventional Cu catalysts but can be operated at similar or lower temperatures. A database for the Binding Energies (BEs) of the LWGS relevant species, namely CO, O and OH on the most-stable, close-packed facets of a set of 17 catalytically relevant transition metals was established. This BE data and a database of previously established segregation energies was utilized to predict the stability of bimetallic NSAs that could be synthesized by combinations of the 17 parent transition metals. NSAs that were potentially stable both in vacuo and under the influence of strong-binding WGS intermediates were then selected for adsorption studies. A set of 40 NSAs were identified that satisfied all three screener criteria and the binding energies of CO, O and OH were calculated on a set of 66, 43 and 79 NSA candidates respectively. Several NSAs were found that bound intermediates weaker than the monometallic catalysts and were thus potentially poison-resistant. Finally, kinetic studies were performed and resulted in the discovery of a specific NSA-based bimetallic catalyst Cu/Pt that is potentially a promising LWGS catalyst. This stable Cu/Pt subsurface alloy is expected to provide facile H{sub 2}O activation and remain relatively resistant from the poisoning by CO, S and formate intermediates." @default.
- W1490076103 created "2016-06-24" @default.
- W1490076103 creator A5031683423 @default.
- W1490076103 date "2008-08-31" @default.
- W1490076103 modified "2023-10-05" @default.
- W1490076103 title "Computational Chemistry-Based Identification of Ultra-Low Temperature Water-Gas-Shift Catalysts" @default.
- W1490076103 cites W2026589009 @default.
- W1490076103 cites W2053309312 @default.
- W1490076103 cites W583315544 @default.
- W1490076103 doi "https://doi.org/10.2172/945930" @default.
- W1490076103 hasPublicationYear "2008" @default.
- W1490076103 type Work @default.
- W1490076103 sameAs 1490076103 @default.
- W1490076103 citedByCount "0" @default.
- W1490076103 crossrefType "report" @default.
- W1490076103 hasAuthorship W1490076103A5031683423 @default.
- W1490076103 hasBestOaLocation W14900761033 @default.
- W1490076103 hasConcept C106773901 @default.
- W1490076103 hasConcept C121332964 @default.
- W1490076103 hasConcept C127413603 @default.
- W1490076103 hasConcept C147597530 @default.
- W1490076103 hasConcept C147789679 @default.
- W1490076103 hasConcept C150394285 @default.
- W1490076103 hasConcept C161790260 @default.
- W1490076103 hasConcept C170493617 @default.
- W1490076103 hasConcept C178790620 @default.
- W1490076103 hasConcept C179104552 @default.
- W1490076103 hasConcept C185544564 @default.
- W1490076103 hasConcept C185592680 @default.
- W1490076103 hasConcept C21951064 @default.
- W1490076103 hasConcept C2780026712 @default.
- W1490076103 hasConcept C2780178953 @default.
- W1490076103 hasConcept C3018795828 @default.
- W1490076103 hasConcept C42360764 @default.
- W1490076103 hasConcept C43411465 @default.
- W1490076103 hasConcept C55493867 @default.
- W1490076103 hasConcept C66114498 @default.
- W1490076103 hasConcept C89031862 @default.
- W1490076103 hasConcept C93282013 @default.
- W1490076103 hasConceptScore W1490076103C106773901 @default.
- W1490076103 hasConceptScore W1490076103C121332964 @default.
- W1490076103 hasConceptScore W1490076103C127413603 @default.
- W1490076103 hasConceptScore W1490076103C147597530 @default.
- W1490076103 hasConceptScore W1490076103C147789679 @default.
- W1490076103 hasConceptScore W1490076103C150394285 @default.
- W1490076103 hasConceptScore W1490076103C161790260 @default.
- W1490076103 hasConceptScore W1490076103C170493617 @default.
- W1490076103 hasConceptScore W1490076103C178790620 @default.
- W1490076103 hasConceptScore W1490076103C179104552 @default.
- W1490076103 hasConceptScore W1490076103C185544564 @default.
- W1490076103 hasConceptScore W1490076103C185592680 @default.
- W1490076103 hasConceptScore W1490076103C21951064 @default.
- W1490076103 hasConceptScore W1490076103C2780026712 @default.
- W1490076103 hasConceptScore W1490076103C2780178953 @default.
- W1490076103 hasConceptScore W1490076103C3018795828 @default.
- W1490076103 hasConceptScore W1490076103C42360764 @default.
- W1490076103 hasConceptScore W1490076103C43411465 @default.
- W1490076103 hasConceptScore W1490076103C55493867 @default.
- W1490076103 hasConceptScore W1490076103C66114498 @default.
- W1490076103 hasConceptScore W1490076103C89031862 @default.
- W1490076103 hasConceptScore W1490076103C93282013 @default.
- W1490076103 hasLocation W14900761031 @default.
- W1490076103 hasLocation W14900761032 @default.
- W1490076103 hasLocation W14900761033 @default.
- W1490076103 hasOpenAccess W1490076103 @default.
- W1490076103 hasPrimaryLocation W14900761031 @default.
- W1490076103 hasRelatedWork W1490076103 @default.
- W1490076103 hasRelatedWork W1979227820 @default.
- W1490076103 hasRelatedWork W2012784555 @default.
- W1490076103 hasRelatedWork W2014762019 @default.
- W1490076103 hasRelatedWork W2061901406 @default.
- W1490076103 hasRelatedWork W2425313854 @default.
- W1490076103 hasRelatedWork W2612000438 @default.
- W1490076103 hasRelatedWork W3131496377 @default.
- W1490076103 hasRelatedWork W3150536675 @default.
- W1490076103 hasRelatedWork W2519494541 @default.
- W1490076103 isParatext "false" @default.
- W1490076103 isRetracted "false" @default.
- W1490076103 magId "1490076103" @default.
- W1490076103 workType "report" @default.