FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1985776065> ?p ?o ?g. }

• W1985776065 endingPage "143" @default.
• W1985776065 startingPage "128" @default.
• W1985776065 abstract "The determination of the local structure of cobalt- or nickel-promoted MoS2-based hydrodesulfurization catalysts is of interest for understanding the mechanism leading to an increased activity brought by cobalt or nickel, the so-called synergetic effect. For that reason, we carried out ab initio calculations using density functional theory under the generalized gradient approximation for periodic systems. The edge substitution model emerges as the most stable structure and provides an excellent agreement with local structures experimentally determined on real catalysts by in situ extended X-ray absorption fine structure. We studied the adsorption of sulfur on the active edge surface of the promoted MoS2 catalyst and determined the equilibrium coverage under sulfiding conditions. It is demonstrated that the incorporation of promoter atoms has a strong influence on the sulfur–metal bond energy at the surface and in particular leads to a reduction of the equilibrium S coverage of the active metal sites. A comparative study on the effects of Co, Ni, and Cu atoms as promoters was performed. Detailed results on the surface electronic structure of promoted MoS2 are presented." @default.
• W1985776065 created "2016-06-24" @default.
• W1985776065 creator A5019751186 @default.
• W1985776065 creator A5025383238 @default.
• W1985776065 creator A5056671594 @default.
• W1985776065 creator A5061063610 @default.
• W1985776065 creator A5090003078 @default.
• W1985776065 date "2000-02-01" @default.
• W1985776065 modified "2023-10-17" @default.
• W1985776065 title "Structure, Energetics, and Electronic Properties of the Surface of a Promoted MoS2 Catalyst: An ab Initio Local Density Functional Study" @default.
• W1985776065 cites W138349728 @default.
• W1985776065 cites W1513930783 @default.
• W1985776065 cites W1587479915 @default.
• W1985776065 cites W1605533137 @default.
• W1985776065 cites W1968174372 @default.
• W1985776065 cites W1985776065 @default.
• W1985776065 cites W1990510013 @default.
• W1985776065 cites W1990625361 @default.
• W1985776065 cites W2004821594 @default.
• W1985776065 cites W2007395042 @default.
• W1985776065 cites W2009130111 @default.
• W1985776065 cites W2014598617 @default.
• W1985776065 cites W2031906810 @default.
• W1985776065 cites W2032149263 @default.
• W1985776065 cites W2053860509 @default.
• W1985776065 cites W2057685126 @default.
• W1985776065 cites W2060964755 @default.
• W1985776065 cites W2079105963 @default.
• W1985776065 cites W2083222334 @default.
• W1985776065 cites W2085378118 @default.
• W1985776065 cites W2087585288 @default.
• W1985776065 cites W2087698390 @default.
• W1985776065 cites W2088591799 @default.
• W1985776065 cites W2090130753 @default.
• W1985776065 cites W2093900153 @default.
• W1985776065 cites W2145790619 @default.
• W1985776065 cites W2150081666 @default.
• W1985776065 cites W2283238872 @default.
• W1985776065 cites W2463929564 @default.
• W1985776065 cites W3206606417 @default.
• W1985776065 cites W4211081178 @default.
• W1985776065 cites W66337250 @default.
• W1985776065 doi "https://doi.org/10.1006/jcat.1999.2743" @default.
• W1985776065 hasPublicationYear "2000" @default.
• W1985776065 type Work @default.
• W1985776065 sameAs 1985776065 @default.
• W1985776065 citedByCount "311" @default.
• W1985776065 countsByYear W19857760652012 @default.
• W1985776065 countsByYear W19857760652013 @default.
• W1985776065 countsByYear W19857760652014 @default.
• W1985776065 countsByYear W19857760652015 @default.
• W1985776065 countsByYear W19857760652016 @default.
• W1985776065 countsByYear W19857760652017 @default.
• W1985776065 countsByYear W19857760652018 @default.
• W1985776065 countsByYear W19857760652019 @default.
• W1985776065 countsByYear W19857760652020 @default.
• W1985776065 countsByYear W19857760652021 @default.
• W1985776065 countsByYear W19857760652022 @default.
• W1985776065 countsByYear W19857760652023 @default.
• W1985776065 crossrefType "journal-article" @default.
• W1985776065 hasAuthorship W1985776065A5019751186 @default.
• W1985776065 hasAuthorship W1985776065A5025383238 @default.
• W1985776065 hasAuthorship W1985776065A5056671594 @default.
• W1985776065 hasAuthorship W1985776065A5061063610 @default.
• W1985776065 hasAuthorship W1985776065A5090003078 @default.
• W1985776065 hasConcept C106773901 @default.
• W1985776065 hasConcept C121332964 @default.
• W1985776065 hasConcept C147597530 @default.
• W1985776065 hasConcept C147789679 @default.
• W1985776065 hasConcept C150394285 @default.
• W1985776065 hasConcept C152365726 @default.
• W1985776065 hasConcept C159467904 @default.
• W1985776065 hasConcept C161790260 @default.
• W1985776065 hasConcept C178790620 @default.
• W1985776065 hasConcept C179104552 @default.
• W1985776065 hasConcept C183971685 @default.
• W1985776065 hasConcept C185592680 @default.
• W1985776065 hasConcept C197129369 @default.
• W1985776065 hasConcept C2781442258 @default.
• W1985776065 hasConcept C32909587 @default.
• W1985776065 hasConcept C504270822 @default.
• W1985776065 hasConcept C515602321 @default.
• W1985776065 hasConcept C518881349 @default.
• W1985776065 hasConcept C544153396 @default.
• W1985776065 hasConcept C86025842 @default.
• W1985776065 hasConcept C97355855 @default.
• W1985776065 hasConcept C97514900 @default.
• W1985776065 hasConceptScore W1985776065C106773901 @default.
• W1985776065 hasConceptScore W1985776065C121332964 @default.
• W1985776065 hasConceptScore W1985776065C147597530 @default.
• W1985776065 hasConceptScore W1985776065C147789679 @default.
• W1985776065 hasConceptScore W1985776065C150394285 @default.
• W1985776065 hasConceptScore W1985776065C152365726 @default.
• W1985776065 hasConceptScore W1985776065C159467904 @default.
• W1985776065 hasConceptScore W1985776065C161790260 @default.
• W1985776065 hasConceptScore W1985776065C178790620 @default.
• W1985776065 hasConceptScore W1985776065C179104552 @default.
• W1985776065 hasConceptScore W1985776065C183971685 @default.

• next