FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2592564749> ?p ?o ?g. }

• W2592564749 endingPage "384" @default.
• W2592564749 startingPage "374" @default.
• W2592564749 abstract "Calculations based on the first-principle density functional theory were carried out to study the most controversial reactions in ethanol formation from syngas on Cu-Co surfaces: CO dissociation mechanism and the key reactions of carbon chain growth of ethanol formation (HCO insertion reactions) on four model surfaces (Cu-Co (111) and (211) with Cu-rich or Co-rich surfaces) to investigate the synergy of the Cu and Co components since the complete reaction network of ethanol formation from syngas is a huge computational burden to calculate on four Cu-Co surface models. We investigated adsorption of important species involved in these reactions, activation barrier and reaction energy of H-assisted dissociation mechanism, directly dissociation of CO, and HCO insertion reactions (CHx + HCO → CHxCHO (x = 1–3)) on four Cu-Co surface models. It was found that reactions on Cu-rich (111) and (211) surfaces all have lower activation barrier in H-assisted dissociation and HCO insertion reactions, especially CH + HCO → CHCHO reaction. The PDOS of 4d orbitals of surface Cu and Co atoms of all surfaces were studied. Analysis of d-band center of Cu and Co atoms and the activation barrier data suggested the correlation between electronic property and catalytic performance. Cu-Co bimetallic with Cu-rich surface allows Co to have higher catalytic activity through the interaction of Cu and Co atom. Then it will improve the adsorption of CO and catalytic activity of Co. Thus it is more favorable to the carbon chain growth in ethanol formation. Our study revealed the factors influencing the carbon chain growth in ethanol production and explained the internal mechanism from electronic property aspect." @default.
• W2592564749 created "2017-03-16" @default.
• W2592564749 creator A5011610308 @default.
• W2592564749 creator A5026265288 @default.
• W2592564749 creator A5035684276 @default.
• W2592564749 creator A5052060802 @default.
• W2592564749 creator A5062023586 @default.
• W2592564749 date "2017-08-01" @default.
• W2592564749 modified "2023-09-30" @default.
• W2592564749 title "A density functional theory study on the carbon chain growth of ethanol formation on Cu-Co (111) and (211) surfaces" @default.
• W2592564749 cites W1499584630 @default.
• W2592564749 cites W1617861034 @default.
• W2592564749 cites W1968218188 @default.
• W2592564749 cites W1972673801 @default.
• W2592564749 cites W1974261797 @default.
• W2592564749 cites W1975314425 @default.
• W2592564749 cites W1978884223 @default.
• W2592564749 cites W1994333636 @default.
• W2592564749 cites W1997564025 @default.
• W2592564749 cites W2008333238 @default.
• W2592564749 cites W2010477849 @default.
• W2592564749 cites W2010785247 @default.
• W2592564749 cites W2011377242 @default.
• W2592564749 cites W2013050095 @default.
• W2592564749 cites W2015797475 @default.
• W2592564749 cites W2016355541 @default.
• W2592564749 cites W2016440766 @default.
• W2592564749 cites W2031305603 @default.
• W2592564749 cites W2034837605 @default.
• W2592564749 cites W2036113194 @default.
• W2592564749 cites W2037319405 @default.
• W2592564749 cites W2043386089 @default.
• W2592564749 cites W2056071128 @default.
• W2592564749 cites W2060710374 @default.
• W2592564749 cites W2067746562 @default.
• W2592564749 cites W2068035701 @default.
• W2592564749 cites W2069988560 @default.
• W2592564749 cites W2081704638 @default.
• W2592564749 cites W2088700305 @default.
• W2592564749 cites W2090800524 @default.
• W2592564749 cites W2091775405 @default.
• W2592564749 cites W2092038043 @default.
• W2592564749 cites W2101072787 @default.
• W2592564749 cites W2117103384 @default.
• W2592564749 cites W2127068499 @default.
• W2592564749 cites W2155741379 @default.
• W2592564749 cites W2324436310 @default.
• W2592564749 cites W2325892136 @default.
• W2592564749 cites W2332610353 @default.
• W2592564749 cites W3206606417 @default.
• W2592564749 doi "https://doi.org/10.1016/j.apsusc.2017.03.106" @default.
• W2592564749 hasPublicationYear "2017" @default.
• W2592564749 type Work @default.
• W2592564749 sameAs 2592564749 @default.
• W2592564749 citedByCount "23" @default.
• W2592564749 countsByYear W25925647492018 @default.
• W2592564749 countsByYear W25925647492019 @default.
• W2592564749 countsByYear W25925647492020 @default.
• W2592564749 countsByYear W25925647492021 @default.
• W2592564749 countsByYear W25925647492022 @default.
• W2592564749 countsByYear W25925647492023 @default.
• W2592564749 crossrefType "journal-article" @default.
• W2592564749 hasAuthorship W2592564749A5011610308 @default.
• W2592564749 hasAuthorship W2592564749A5026265288 @default.
• W2592564749 hasAuthorship W2592564749A5035684276 @default.
• W2592564749 hasAuthorship W2592564749A5052060802 @default.
• W2592564749 hasAuthorship W2592564749A5062023586 @default.
• W2592564749 hasConcept C102931765 @default.
• W2592564749 hasConcept C147597530 @default.
• W2592564749 hasConcept C147789679 @default.
• W2592564749 hasConcept C150394285 @default.
• W2592564749 hasConcept C152365726 @default.
• W2592564749 hasConcept C161790260 @default.
• W2592564749 hasConcept C178790620 @default.
• W2592564749 hasConcept C179104552 @default.
• W2592564749 hasConcept C185592680 @default.
• W2592564749 hasConcept C194439259 @default.
• W2592564749 hasConcept C2780161600 @default.
• W2592564749 hasConcept C43411465 @default.
• W2592564749 hasConcept C65024703 @default.
• W2592564749 hasConcept C75473681 @default.
• W2592564749 hasConcept C95121573 @default.
• W2592564749 hasConceptScore W2592564749C102931765 @default.
• W2592564749 hasConceptScore W2592564749C147597530 @default.
• W2592564749 hasConceptScore W2592564749C147789679 @default.
• W2592564749 hasConceptScore W2592564749C150394285 @default.
• W2592564749 hasConceptScore W2592564749C152365726 @default.
• W2592564749 hasConceptScore W2592564749C161790260 @default.
• W2592564749 hasConceptScore W2592564749C178790620 @default.
• W2592564749 hasConceptScore W2592564749C179104552 @default.
• W2592564749 hasConceptScore W2592564749C185592680 @default.
• W2592564749 hasConceptScore W2592564749C194439259 @default.
• W2592564749 hasConceptScore W2592564749C2780161600 @default.
• W2592564749 hasConceptScore W2592564749C43411465 @default.
• W2592564749 hasConceptScore W2592564749C65024703 @default.
• W2592564749 hasConceptScore W2592564749C75473681 @default.
• W2592564749 hasConceptScore W2592564749C95121573 @default.
• W2592564749 hasLocation W25925647491 @default.

• next