FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3043155001> ?p ?o ?g. }

• W3043155001 endingPage "18049" @default.
• W3043155001 startingPage "18040" @default.
• W3043155001 abstract "In this study, the selectively catalytic hydrodeoxygenation of furfural (F-CHO) to 2-methylfuran (F-CH3) on the CuNiCu(111) bimetallic catalyst surface was systematically investigated based on the periodic density functional theory, including dispersion correction. The formation of furfuryl alcohol (F-CH2OH) involved two steps: the preferred first step was the hydrogenation of the branched C atom, forming the alkoxyl intermediate (F-CHO + H = F-CH2O), and the second step was H addition to the alkoxyl group, resulting in furfuryl alcohol (F-CH2O + H = F-CH2OH), which was the rate-controlling step. In contrast, in the formation of 2-methylfuran, the first step was the dehydroxylation of furfuryl alcohol, resulting in alkyl (F-CH2) and OH (F-CH2OH = F-CH2 + OH) groups, the second step was the hydrogenation of F-CH2 (F-CH2 + OH + H = F-CH3 + OH), and the rate-controlling step was the hydrogenation of OH to H2O (OH + H = H2O). Based on the comparison results of the NiCuCu(111), Cu(111), and CuNiCu(111) surfaces, it was concluded that the catalytic performance of the catalyst was closely related to the adsorption structure of furfural. These results provide a basis for studying the intrinsic activity of NiCu catalysts during the hydrodeoxygenation of refined oxygenated compounds involving biomass-derived oils." @default.
• W3043155001 created "2020-07-23" @default.
• W3043155001 creator A5042428635 @default.
• W3043155001 date "2020-07-16" @default.
• W3043155001 modified "2023-09-27" @default.
• W3043155001 title "Exploring the Reaction Mechanisms of Furfural Hydrodeoxygenation on a CuNiCu(111) Bimetallic Catalyst Surface from Computation" @default.
• W3043155001 cites W1781422540 @default.
• W3043155001 cites W1970127494 @default.
• W3043155001 cites W1971960252 @default.
• W3043155001 cites W1979544533 @default.
• W3043155001 cites W1981368803 @default.
• W3043155001 cites W1981952456 @default.
• W3043155001 cites W1998821376 @default.
• W3043155001 cites W2003801369 @default.
• W3043155001 cites W2007395042 @default.
• W3043155001 cites W2008160179 @default.
• W3043155001 cites W2015497282 @default.
• W3043155001 cites W2015572607 @default.
• W3043155001 cites W2017599661 @default.
• W3043155001 cites W2020972885 @default.
• W3043155001 cites W2025842660 @default.
• W3043155001 cites W2057980421 @default.
• W3043155001 cites W2078292437 @default.
• W3043155001 cites W2083222334 @default.
• W3043155001 cites W2086787231 @default.
• W3043155001 cites W2092157292 @default.
• W3043155001 cites W2096747776 @default.
• W3043155001 cites W2097999862 @default.
• W3043155001 cites W2120468444 @default.
• W3043155001 cites W2122427541 @default.
• W3043155001 cites W2129988592 @default.
• W3043155001 cites W2169938000 @default.
• W3043155001 cites W2172172627 @default.
• W3043155001 cites W2219985091 @default.
• W3043155001 cites W2298482557 @default.
• W3043155001 cites W2302062736 @default.
• W3043155001 cites W2310393521 @default.
• W3043155001 cites W2312694342 @default.
• W3043155001 cites W2317704676 @default.
• W3043155001 cites W2322312544 @default.
• W3043155001 cites W2322342266 @default.
• W3043155001 cites W2345006169 @default.
• W3043155001 cites W2418892032 @default.
• W3043155001 cites W2508412781 @default.
• W3043155001 cites W2524073792 @default.
• W3043155001 cites W2526272818 @default.
• W3043155001 cites W2538521316 @default.
• W3043155001 cites W2558770115 @default.
• W3043155001 cites W2600045019 @default.
• W3043155001 cites W2607635875 @default.
• W3043155001 cites W2739088978 @default.
• W3043155001 cites W2789344656 @default.
• W3043155001 cites W2799624196 @default.
• W3043155001 cites W2894280124 @default.
• W3043155001 cites W2897880776 @default.
• W3043155001 cites W2905870145 @default.
• W3043155001 cites W2928918839 @default.
• W3043155001 cites W2941870433 @default.
• W3043155001 cites W2979395942 @default.
• W3043155001 cites W2980055460 @default.
• W3043155001 cites W2980087602 @default.
• W3043155001 cites W3022588590 @default.
• W3043155001 doi "https://doi.org/10.1021/acsomega.0c01483" @default.
• W3043155001 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/7393643" @default.
• W3043155001 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/32743178" @default.
• W3043155001 hasPublicationYear "2020" @default.
• W3043155001 type Work @default.
• W3043155001 sameAs 3043155001 @default.
• W3043155001 citedByCount "5" @default.
• W3043155001 countsByYear W30431550012022 @default.
• W3043155001 countsByYear W30431550012023 @default.
• W3043155001 crossrefType "journal-article" @default.
• W3043155001 hasAuthorship W3043155001A5042428635 @default.
• W3043155001 hasBestOaLocation W30431550011 @default.
• W3043155001 hasConcept C118792377 @default.
• W3043155001 hasConcept C155647269 @default.
• W3043155001 hasConcept C161790260 @default.
• W3043155001 hasConcept C178790620 @default.
• W3043155001 hasConcept C185592680 @default.
• W3043155001 hasConcept C2778496505 @default.
• W3043155001 hasConcept C2779719330 @default.
• W3043155001 hasConcept C2780263894 @default.
• W3043155001 hasConcept C2780526948 @default.
• W3043155001 hasConcept C2781066024 @default.
• W3043155001 hasConcept C43411465 @default.
• W3043155001 hasConcept C90150868 @default.
• W3043155001 hasConceptScore W3043155001C118792377 @default.
• W3043155001 hasConceptScore W3043155001C155647269 @default.
• W3043155001 hasConceptScore W3043155001C161790260 @default.
• W3043155001 hasConceptScore W3043155001C178790620 @default.
• W3043155001 hasConceptScore W3043155001C185592680 @default.
• W3043155001 hasConceptScore W3043155001C2778496505 @default.
• W3043155001 hasConceptScore W3043155001C2779719330 @default.
• W3043155001 hasConceptScore W3043155001C2780263894 @default.
• W3043155001 hasConceptScore W3043155001C2780526948 @default.
• W3043155001 hasConceptScore W3043155001C2781066024 @default.
• W3043155001 hasConceptScore W3043155001C43411465 @default.
• W3043155001 hasConceptScore W3043155001C90150868 @default.

• next