Matches in SemOpenAlex for { <https://semopenalex.org/work/W2765746884> ?p ?o ?g. }
- W2765746884 abstract "Abstract The decomposition of methane (CH 4 ) is a catalytically important reaction in the production of syngas that is used to make a wide spectrum of hydrocarbons and alcohols, and a principal carbon deposition pathway in methane reforming. Literatures suggest that stepped Ni surface is uniquely selective toward methane decomposition to atomic C, contrary to other catalysts that favor the CH fragment. In this paper, we used dispersion-corrected density functional theory-based first principles calculations to identify the electronic factors that govern this interesting property of stepped Ni surface. We found that the adsorption of atomic C on this surface is uniquely characterized by a 5–coordinated bonding of C with Ni atoms from both the surface and subsurface layers. Comparison with Ru surface indicates the importance of the subsurface atoms of stepped Ni surface on its selectivity toward methane decomposition to atomic C. Interestingly, we found that substituting these subsurface atoms with other elements can dramatically change the reaction mechanism of methane decomposition, suggesting a new approach to catalyst design for hydrocarbon reforming applications." @default.
- W2765746884 created "2017-11-10" @default.
- W2765746884 creator A5031324823 @default.
- W2765746884 creator A5064181155 @default.
- W2765746884 creator A5067459473 @default.
- W2765746884 creator A5069351566 @default.
- W2765746884 creator A5070852791 @default.
- W2765746884 date "2017-10-25" @default.
- W2765746884 modified "2023-10-10" @default.
- W2765746884 title "Tuning methane decomposition on stepped Ni surface: The role of subsurface atoms in catalyst design" @default.
- W2765746884 cites W1970127494 @default.
- W2765746884 cites W1971996182 @default.
- W2765746884 cites W1973484368 @default.
- W2765746884 cites W1975381731 @default.
- W2765746884 cites W1979544533 @default.
- W2765746884 cites W1981368803 @default.
- W2765746884 cites W1989184526 @default.
- W2765746884 cites W1992202592 @default.
- W2765746884 cites W1997741144 @default.
- W2765746884 cites W2007395042 @default.
- W2765746884 cites W2012317204 @default.
- W2765746884 cites W2016355541 @default.
- W2765746884 cites W2022514303 @default.
- W2765746884 cites W2023271753 @default.
- W2765746884 cites W2034837605 @default.
- W2765746884 cites W2036113194 @default.
- W2765746884 cites W2038803925 @default.
- W2765746884 cites W2048677711 @default.
- W2765746884 cites W2058214407 @default.
- W2765746884 cites W2063264671 @default.
- W2765746884 cites W2064807075 @default.
- W2765746884 cites W2066234785 @default.
- W2765746884 cites W2067746562 @default.
- W2765746884 cites W2069739440 @default.
- W2765746884 cites W2079105963 @default.
- W2765746884 cites W2083222334 @default.
- W2765746884 cites W2084365263 @default.
- W2765746884 cites W2084429590 @default.
- W2765746884 cites W2086957099 @default.
- W2765746884 cites W2087698390 @default.
- W2765746884 cites W2117894566 @default.
- W2765746884 cites W2119741652 @default.
- W2765746884 cites W2122427541 @default.
- W2765746884 cites W2124318833 @default.
- W2765746884 cites W2140886907 @default.
- W2765746884 cites W2161443281 @default.
- W2765746884 cites W2171438195 @default.
- W2765746884 cites W2594663065 @default.
- W2765746884 cites W2597150638 @default.
- W2765746884 cites W2604885583 @default.
- W2765746884 doi "https://doi.org/10.1038/s41598-017-14050-3" @default.
- W2765746884 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/5656674" @default.
- W2765746884 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/29070850" @default.
- W2765746884 hasPublicationYear "2017" @default.
- W2765746884 type Work @default.
- W2765746884 sameAs 2765746884 @default.
- W2765746884 citedByCount "39" @default.
- W2765746884 countsByYear W27657468842018 @default.
- W2765746884 countsByYear W27657468842019 @default.
- W2765746884 countsByYear W27657468842020 @default.
- W2765746884 countsByYear W27657468842021 @default.
- W2765746884 countsByYear W27657468842022 @default.
- W2765746884 countsByYear W27657468842023 @default.
- W2765746884 crossrefType "journal-article" @default.
- W2765746884 hasAuthorship W2765746884A5031324823 @default.
- W2765746884 hasAuthorship W2765746884A5064181155 @default.
- W2765746884 hasAuthorship W2765746884A5067459473 @default.
- W2765746884 hasAuthorship W2765746884A5069351566 @default.
- W2765746884 hasAuthorship W2765746884A5070852791 @default.
- W2765746884 hasBestOaLocation W27657468841 @default.
- W2765746884 hasConcept C104779481 @default.
- W2765746884 hasConcept C118792377 @default.
- W2765746884 hasConcept C120665830 @default.
- W2765746884 hasConcept C121332964 @default.
- W2765746884 hasConcept C124681953 @default.
- W2765746884 hasConcept C127413603 @default.
- W2765746884 hasConcept C140205800 @default.
- W2765746884 hasConcept C147597530 @default.
- W2765746884 hasConcept C147789679 @default.
- W2765746884 hasConcept C150394285 @default.
- W2765746884 hasConcept C152365726 @default.
- W2765746884 hasConcept C159985019 @default.
- W2765746884 hasConcept C161790260 @default.
- W2765746884 hasConcept C177562468 @default.
- W2765746884 hasConcept C178790620 @default.
- W2765746884 hasConcept C179104552 @default.
- W2765746884 hasConcept C185592680 @default.
- W2765746884 hasConcept C192562407 @default.
- W2765746884 hasConcept C194439259 @default.
- W2765746884 hasConcept C2777207669 @default.
- W2765746884 hasConcept C42360764 @default.
- W2765746884 hasConcept C516920438 @default.
- W2765746884 hasConceptScore W2765746884C104779481 @default.
- W2765746884 hasConceptScore W2765746884C118792377 @default.
- W2765746884 hasConceptScore W2765746884C120665830 @default.
- W2765746884 hasConceptScore W2765746884C121332964 @default.
- W2765746884 hasConceptScore W2765746884C124681953 @default.
- W2765746884 hasConceptScore W2765746884C127413603 @default.
- W2765746884 hasConceptScore W2765746884C140205800 @default.
- W2765746884 hasConceptScore W2765746884C147597530 @default.