FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2045267906> ?p ?o ?g. }

• W2045267906 endingPage "9635" @default.
• W2045267906 startingPage "9629" @default.
• W2045267906 abstract "Abstract Adsorption of carbon monoxide on different Ag + -exchange sites of Ag–ZSM-5 zeolite has been investigated using density functional theory. The coordination and local geometry of the Ag + ion in Ag–ZSM-5 as well as adsorption structures and energies of CO adsorbed on these sites are explored extensively. The structure of Ag + -exchange sites, location of the Al atom on the T site, and number of the Al atoms contained in the sites are considered in the theoretical calculations. The calculated results show that the Ag O coordination number of two is strongly preferred before and after CO adsorption. The Ag O bond lengths are in a broad range of 2.2–2.9 A, and the Ag C bond lengths for CO adsorbed on Ag–ZSM-5 zeolite are calculated to be 2.0–2.2 A. Both Ag O and Ag C bond lengths for CO–Ag–ZSM-5 complex are longer than those for CO–Cu–ZSM-5 complex. The calculated adsorption energy of CO adsorbed on the I2 sites is between 28.5 and 29.6 kcal/mol, and that on the Z5, Z6, M5 and M6 sites containing one Al atom on the T position is between 11.3 and 18.9 kcal/mol whereas the calculated adsorption energy of CO adsorbed on the M7 site containing one Al atom is 19.9 kcal/mol. The introduction of the two Al atoms to the Ag + -exchange site results in a reduction of CO adsorption energy. In general, the adsorption energy of CO on Ag–ZSM-5 is lower than that on Cu–ZSM-5. The predicted coordination of the Ag + ion, bond lengths of Ag O and Ag C as well as adsorption energy are in accord with available experimental results." @default.
• W2045267906 created "2016-06-24" @default.
• W2045267906 creator A5026066799 @default.
• W2045267906 creator A5066906174 @default.
• W2045267906 creator A5073825020 @default.
• W2045267906 date "2012-10-01" @default.
• W2045267906 modified "2023-09-25" @default.
• W2045267906 title "Adsorption of carbon monoxide on Ag(I)-ZSM-5 zeolite: An ab initio density functional theory study" @default.
• W2045267906 cites W1207384226 @default.
• W2045267906 cites W1964104781 @default.
• W2045267906 cites W1965533800 @default.
• W2045267906 cites W1965752441 @default.
• W2045267906 cites W1966377013 @default.
• W2045267906 cites W1967978263 @default.
• W2045267906 cites W1973104419 @default.
• W2045267906 cites W1980407980 @default.
• W2045267906 cites W1986384845 @default.
• W2045267906 cites W1988599012 @default.
• W2045267906 cites W1990806374 @default.
• W2045267906 cites W2005196960 @default.
• W2045267906 cites W2007648402 @default.
• W2045267906 cites W2013064595 @default.
• W2045267906 cites W2013393375 @default.
• W2045267906 cites W2014410311 @default.
• W2045267906 cites W2017703867 @default.
• W2045267906 cites W2028762633 @default.
• W2045267906 cites W2030504719 @default.
• W2045267906 cites W2049079467 @default.
• W2045267906 cites W2060106539 @default.
• W2045267906 cites W2063975799 @default.
• W2045267906 cites W2070201150 @default.
• W2045267906 cites W2070701526 @default.
• W2045267906 cites W2070987057 @default.
• W2045267906 cites W2077710566 @default.
• W2045267906 cites W2079935418 @default.
• W2045267906 cites W2082152116 @default.
• W2045267906 cites W2083487320 @default.
• W2045267906 cites W2092712289 @default.
• W2045267906 cites W2102701363 @default.
• W2045267906 cites W2160400591 @default.
• W2045267906 cites W2319919301 @default.
• W2045267906 doi "https://doi.org/10.1016/j.apsusc.2012.05.162" @default.
• W2045267906 hasPublicationYear "2012" @default.
• W2045267906 type Work @default.
• W2045267906 sameAs 2045267906 @default.
• W2045267906 citedByCount "14" @default.
• W2045267906 countsByYear W20452679062013 @default.
• W2045267906 countsByYear W20452679062014 @default.
• W2045267906 countsByYear W20452679062015 @default.
• W2045267906 countsByYear W20452679062017 @default.
• W2045267906 countsByYear W20452679062018 @default.
• W2045267906 countsByYear W20452679062020 @default.
• W2045267906 countsByYear W20452679062022 @default.
• W2045267906 countsByYear W20452679062023 @default.
• W2045267906 crossrefType "journal-article" @default.
• W2045267906 hasAuthorship W2045267906A5026066799 @default.
• W2045267906 hasAuthorship W2045267906A5066906174 @default.
• W2045267906 hasAuthorship W2045267906A5073825020 @default.
• W2045267906 hasConcept C105281773 @default.
• W2045267906 hasConcept C147597530 @default.
• W2045267906 hasConcept C147789679 @default.
• W2045267906 hasConcept C150394285 @default.
• W2045267906 hasConcept C152365726 @default.
• W2045267906 hasConcept C161790260 @default.
• W2045267906 hasConcept C178790620 @default.
• W2045267906 hasConcept C179104552 @default.
• W2045267906 hasConcept C185592680 @default.
• W2045267906 hasConcept C192562407 @default.
• W2045267906 hasConcept C2778077586 @default.
• W2045267906 hasConcept C2778533180 @default.
• W2045267906 hasConcept C2781442258 @default.
• W2045267906 hasConcept C512735826 @default.
• W2045267906 hasConceptScore W2045267906C105281773 @default.
• W2045267906 hasConceptScore W2045267906C147597530 @default.
• W2045267906 hasConceptScore W2045267906C147789679 @default.
• W2045267906 hasConceptScore W2045267906C150394285 @default.
• W2045267906 hasConceptScore W2045267906C152365726 @default.
• W2045267906 hasConceptScore W2045267906C161790260 @default.
• W2045267906 hasConceptScore W2045267906C178790620 @default.
• W2045267906 hasConceptScore W2045267906C179104552 @default.
• W2045267906 hasConceptScore W2045267906C185592680 @default.
• W2045267906 hasConceptScore W2045267906C192562407 @default.
• W2045267906 hasConceptScore W2045267906C2778077586 @default.
• W2045267906 hasConceptScore W2045267906C2778533180 @default.
• W2045267906 hasConceptScore W2045267906C2781442258 @default.
• W2045267906 hasConceptScore W2045267906C512735826 @default.
• W2045267906 hasFunder F4320321001 @default.
• W2045267906 hasFunder F4320336024 @default.
• W2045267906 hasIssue "24" @default.
• W2045267906 hasLocation W20452679061 @default.
• W2045267906 hasOpenAccess W2045267906 @default.
• W2045267906 hasPrimaryLocation W20452679061 @default.
• W2045267906 hasRelatedWork W1069173683 @default.
• W2045267906 hasRelatedWork W1991455809 @default.
• W2045267906 hasRelatedWork W2011331181 @default.
• W2045267906 hasRelatedWork W2290318974 @default.
• W2045267906 hasRelatedWork W2292864216 @default.
• W2045267906 hasRelatedWork W2386935917 @default.

• next