FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2732715627> ?p ?o ?g. }

• W2732715627 endingPage "17892" @default.
• W2732715627 startingPage "17882" @default.
• W2732715627 abstract "The effects of alloying platinum with transition and post-transition metals on the kinetics and thermodynamics of dehydrogenation and coke formation pathways during light alkane dehydrogenation have been studied using density functional theory. Supported Pt catalysts are known to be active for light alkane dehydrogenation, but the high temperatures required by these endothermic reactions leads to significant coke formation and deactivation. A limited set of Pt alloys have been investigated experimentally previously, with decreases coke formation and deactivation. Using periodic density functional theory, we have investigated a wider range of Pt-alloy compositions, including metals from groups 7–15, to better understand the reduction in surface carbon formation and enhanced selectivity during ethane dehydrogenation. The post-transition metal alloys show the greatest ability to decrease the binding energy of carbonaceous species. At low alloy coverage (1/4 ML), these elements affect binding energies primarily through electronic effects, leaving binding geometries unaltered. A scaling relation was developed between simple CHx species and the barriers for ethene reactions to predict selectivity for ethene desorption vs dehydrogenation. At higher alloy coverage (1/2 ML), geometric effects play an important role in surface–adsorbate interactions. There is no global optimum alloying element, rather the best alloy depends on the alloy coverage. PtPb and PtSb show the most promise at low and high alloy coverages, respectively. However, this work predicts that PtSn is the prevailing industrial catalyst because it shows good performance for both alloy coverages, an important property when synthetic control over precise alloy ratio in each metal particle is difficult or impractical to attain." @default.
• W2732715627 created "2017-07-14" @default.
• W2732715627 creator A5056958570 @default.
• W2732715627 creator A5090238692 @default.
• W2732715627 date "2017-08-11" @default.
• W2732715627 modified "2023-09-24" @default.
• W2732715627 title "Predicting Selectivity for Ethane Dehydrogenation and Coke Formation Pathways over Model Pt–M Surface Alloys with ab Initio and Scaling Methods" @default.
• W2732715627 cites W1965770095 @default.
• W2732715627 cites W1970127494 @default.
• W2732715627 cites W1971909829 @default.
• W2732715627 cites W1974469029 @default.
• W2732715627 cites W1979544533 @default.
• W2732715627 cites W1981322223 @default.
• W2732715627 cites W1991630775 @default.
• W2732715627 cites W1998354983 @default.
• W2732715627 cites W2007395042 @default.
• W2732715627 cites W2011158115 @default.
• W2732715627 cites W2014907980 @default.
• W2732715627 cites W2016711847 @default.
• W2732715627 cites W2021550094 @default.
• W2732715627 cites W2021902684 @default.
• W2732715627 cites W2032584878 @default.
• W2732715627 cites W2036113194 @default.
• W2732715627 cites W2038006348 @default.
• W2732715627 cites W2044806217 @default.
• W2732715627 cites W2045970764 @default.
• W2732715627 cites W2049079467 @default.
• W2732715627 cites W2053732173 @default.
• W2732715627 cites W2056873249 @default.
• W2732715627 cites W2058131787 @default.
• W2732715627 cites W206001937 @default.
• W2732715627 cites W2062415979 @default.
• W2732715627 cites W2077184518 @default.
• W2732715627 cites W2081564785 @default.
• W2732715627 cites W2083125409 @default.
• W2732715627 cites W2083173313 @default.
• W2732715627 cites W2083222334 @default.
• W2732715627 cites W2087134968 @default.
• W2732715627 cites W2089230629 @default.
• W2732715627 cites W2100929361 @default.
• W2732715627 cites W2104018329 @default.
• W2732715627 cites W2104611713 @default.
• W2732715627 cites W2115420419 @default.
• W2732715627 cites W2122056134 @default.
• W2732715627 cites W2122427541 @default.
• W2732715627 cites W2126277733 @default.
• W2732715627 cites W2139715371 @default.
• W2732715627 cites W2144860963 @default.
• W2732715627 cites W2151800339 @default.
• W2732715627 cites W2161560552 @default.
• W2732715627 cites W2332730447 @default.
• W2732715627 cites W2335124716 @default.
• W2732715627 cites W2548776126 @default.
• W2732715627 doi "https://doi.org/10.1021/acs.jpcc.7b03789" @default.
• W2732715627 hasPublicationYear "2017" @default.
• W2732715627 type Work @default.
• W2732715627 sameAs 2732715627 @default.
• W2732715627 citedByCount "40" @default.
• W2732715627 countsByYear W27327156272018 @default.
• W2732715627 countsByYear W27327156272019 @default.
• W2732715627 countsByYear W27327156272020 @default.
• W2732715627 countsByYear W27327156272021 @default.
• W2732715627 countsByYear W27327156272022 @default.
• W2732715627 countsByYear W27327156272023 @default.
• W2732715627 crossrefType "journal-article" @default.
• W2732715627 hasAuthorship W2732715627A5056958570 @default.
• W2732715627 hasAuthorship W2732715627A5090238692 @default.
• W2732715627 hasConcept C106773901 @default.
• W2732715627 hasConcept C118792377 @default.
• W2732715627 hasConcept C119889771 @default.
• W2732715627 hasConcept C121332964 @default.
• W2732715627 hasConcept C127413603 @default.
• W2732715627 hasConcept C147597530 @default.
• W2732715627 hasConcept C152365726 @default.
• W2732715627 hasConcept C161790260 @default.
• W2732715627 hasConcept C178790620 @default.
• W2732715627 hasConcept C185592680 @default.
• W2732715627 hasConcept C191897082 @default.
• W2732715627 hasConcept C192562407 @default.
• W2732715627 hasConcept C2780026712 @default.
• W2732715627 hasConcept C2780385392 @default.
• W2732715627 hasConcept C2781327020 @default.
• W2732715627 hasConcept C2781442258 @default.
• W2732715627 hasConcept C42360764 @default.
• W2732715627 hasConcept C518104683 @default.
• W2732715627 hasConcept C97355855 @default.
• W2732715627 hasConceptScore W2732715627C106773901 @default.
• W2732715627 hasConceptScore W2732715627C118792377 @default.
• W2732715627 hasConceptScore W2732715627C119889771 @default.
• W2732715627 hasConceptScore W2732715627C121332964 @default.
• W2732715627 hasConceptScore W2732715627C127413603 @default.
• W2732715627 hasConceptScore W2732715627C147597530 @default.
• W2732715627 hasConceptScore W2732715627C152365726 @default.
• W2732715627 hasConceptScore W2732715627C161790260 @default.
• W2732715627 hasConceptScore W2732715627C178790620 @default.
• W2732715627 hasConceptScore W2732715627C185592680 @default.
• W2732715627 hasConceptScore W2732715627C191897082 @default.
• W2732715627 hasConceptScore W2732715627C192562407 @default.

• next