FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2331443669> ?p ?o ?g. }

• W2331443669 endingPage "8774" @default.
• W2331443669 startingPage "8763" @default.
• W2331443669 abstract "We have used density functional theory (DFT) with dispersion correction to investigate the adsorption and first dissociation step of hydrazine on Fe3Ni(111), FeNi(111), and FeNi3(111) surfaces. The calculations have shown that the FeNi3(111) surface offers the strongest binding of molecular hydrazine adsorbed on the top of an iron atom, whereas the strongest adsorption of NH2 fragment bridging between iron atoms is obtained on the Fe3Ni(111) surface; both molecular hydrazine and the NH2 fragment can be adsorbed strongly on the FeNi(111) surface.The first dissociation step of hydrazine on the FeNi(111) surface is found to be exothermic by −1.19 eV and presents an activation energy barrier of only 0.15 eV. A similar energy barrier is found on the Fe3Ni(111) surface, but a higher reaction energy of −1.47 eV is released on this surface. Furthermore, the electronic structures of the molecular and dissociative adsorptions are discussed, which is intended to shed some light on the binding nature of the adsorption and stability among conformations of the adsorbed molecule on these surfaces. It is expected that our results will provide useful information for the development of a catalyst for hydrazine dissociation." @default.
• W2331443669 created "2016-06-24" @default.
• W2331443669 creator A5061233446 @default.
• W2331443669 creator A5062029799 @default.
• W2331443669 creator A5089859351 @default.
• W2331443669 date "2015-04-15" @default.
• W2331443669 modified "2023-09-24" @default.
• W2331443669 title "First-Principles Investigation of the Molecular Adsorption and Dissociation of Hydrazine on Ni–Fe Alloy Surfaces" @default.
• W2331443669 cites W1969141512 @default.
• W2331443669 cites W1970127494 @default.
• W2331443669 cites W1973825820 @default.
• W2331443669 cites W1979544533 @default.
• W2331443669 cites W1981368803 @default.
• W2331443669 cites W1987857865 @default.
• W2331443669 cites W1990860867 @default.
• W2331443669 cites W1992794267 @default.
• W2331443669 cites W2000549142 @default.
• W2331443669 cites W2007395042 @default.
• W2331443669 cites W2019365864 @default.
• W2331443669 cites W2026444402 @default.
• W2331443669 cites W2028056984 @default.
• W2331443669 cites W2029493031 @default.
• W2331443669 cites W2031430816 @default.
• W2331443669 cites W2036113194 @default.
• W2331443669 cites W2038893810 @default.
• W2331443669 cites W2039080413 @default.
• W2331443669 cites W2042997845 @default.
• W2331443669 cites W2047002015 @default.
• W2331443669 cites W2047399977 @default.
• W2331443669 cites W2048033437 @default.
• W2331443669 cites W2054704030 @default.
• W2331443669 cites W2064807075 @default.
• W2331443669 cites W2072533907 @default.
• W2331443669 cites W2078974483 @default.
• W2331443669 cites W2079105963 @default.
• W2331443669 cites W2079297722 @default.
• W2331443669 cites W2079554782 @default.
• W2331443669 cites W2082174831 @default.
• W2331443669 cites W2083222334 @default.
• W2331443669 cites W2084249670 @default.
• W2331443669 cites W2084429590 @default.
• W2331443669 cites W2087698390 @default.
• W2331443669 cites W2089299446 @default.
• W2331443669 cites W2091897603 @default.
• W2331443669 cites W2092157292 @default.
• W2331443669 cites W2092427216 @default.
• W2331443669 cites W2093914988 @default.
• W2331443669 cites W2096747776 @default.
• W2331443669 cites W2097999862 @default.
• W2331443669 cites W2113353077 @default.
• W2331443669 cites W2119501619 @default.
• W2331443669 cites W2121848648 @default.
• W2331443669 cites W2122427541 @default.
• W2331443669 cites W2165726750 @default.
• W2331443669 cites W2316658842 @default.
• W2331443669 cites W2321972101 @default.
• W2331443669 cites W2325400897 @default.
• W2331443669 cites W2326104863 @default.
• W2331443669 cites W2326555754 @default.
• W2331443669 cites W2506279536 @default.
• W2331443669 doi "https://doi.org/10.1021/acs.jpcc.5b01605" @default.
• W2331443669 hasPublicationYear "2015" @default.
• W2331443669 type Work @default.
• W2331443669 sameAs 2331443669 @default.
• W2331443669 citedByCount "18" @default.
• W2331443669 countsByYear W23314436692015 @default.
• W2331443669 countsByYear W23314436692016 @default.
• W2331443669 countsByYear W23314436692018 @default.
• W2331443669 countsByYear W23314436692019 @default.
• W2331443669 countsByYear W23314436692020 @default.
• W2331443669 countsByYear W23314436692021 @default.
• W2331443669 countsByYear W23314436692022 @default.
• W2331443669 countsByYear W23314436692023 @default.
• W2331443669 crossrefType "journal-article" @default.
• W2331443669 hasAuthorship W2331443669A5061233446 @default.
• W2331443669 hasAuthorship W2331443669A5062029799 @default.
• W2331443669 hasAuthorship W2331443669A5089859351 @default.
• W2331443669 hasConcept C102931765 @default.
• W2331443669 hasConcept C121332964 @default.
• W2331443669 hasConcept C147597530 @default.
• W2331443669 hasConcept C147789679 @default.
• W2331443669 hasConcept C150394285 @default.
• W2331443669 hasConcept C152365726 @default.
• W2331443669 hasConcept C159467904 @default.
• W2331443669 hasConcept C161790260 @default.
• W2331443669 hasConcept C178790620 @default.
• W2331443669 hasConcept C179104552 @default.
• W2331443669 hasConcept C184779094 @default.
• W2331443669 hasConcept C185592680 @default.
• W2331443669 hasConcept C2776597398 @default.
• W2331443669 hasConcept C2780026712 @default.
• W2331443669 hasConcept C32909587 @default.
• W2331443669 hasConcept C43617362 @default.
• W2331443669 hasConcept C45119746 @default.
• W2331443669 hasConcept C93282013 @default.
• W2331443669 hasConceptScore W2331443669C102931765 @default.
• W2331443669 hasConceptScore W2331443669C121332964 @default.
• W2331443669 hasConceptScore W2331443669C147597530 @default.

• next