FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1993704292> ?p ?o ?g. }

• W1993704292 endingPage "173" @default.
• W1993704292 startingPage "159" @default.
• W1993704292 abstract "CO2 hydrogenation to methanol and to other alcohols constitutes an appealing route to recycle the large amount accumulated in the atmosphere through fossil-derived fuels burning. However, CO2 high chemical stability makes the overall process difficult and appropriate catalysts are needed. Transition metal carbides, either as active phase or as a support for noble metal clusters, have been shown to be able to activate CO2. Here, the mechanism involved in the decomposition of H2 and CO2 on many early transition metal carbides (TMC) surfaces is analyzed with the help of density functional theory (DFT) based calculations complemented by key experiments. Results show that H2 dissociation on VC and δ-MoC is unlikely, that TiC and ZrC are more reactive leading to an exothermic but activated process and that the C:Mo ratio is determinant factor since H2 dissociation on β-Mo2C(001) surface is even more exothermic. The DFT based calculations also show that CO2 adsorption on TMC results in an activated species with TMC → CO2 charge transfer, C–O bond elongations and OCO bending. Supporting Cu4 and Au4 clusters on TMCs(001) surfaces leads to more active catalysts due to the induced charge polarization. For H2 dissociation, TiC appears to be the best support, enhancing both H2 thermodynamics and kinetics. CO2 is strongly adsorbed on supported Cu4 and Au4 clusters, and the adsorption energy strength correlates with the methanol formation rate: Cu4/TiC(001) > Au4/TiC(001) > Cu/ZnO(001) ≫ Cu(111), thus providing potential alternative catalysts for methanol synthesis, in principle dozens of times better than commercial Cu/ZnO based catalysts." @default.
• W1993704292 created "2016-06-24" @default.
• W1993704292 creator A5038550012 @default.
• W1993704292 creator A5043745476 @default.
• W1993704292 creator A5075097508 @default.
• W1993704292 date "2014-12-18" @default.
• W1993704292 modified "2023-09-29" @default.
• W1993704292 title "Fundamentals of Methanol Synthesis on Metal Carbide Based Catalysts: Activation of CO2 and H2" @default.
• W1993704292 cites W171238500 @default.
• W1993704292 cites W1816801378 @default.
• W1993704292 cites W1959918992 @default.
• W1993704292 cites W1965752441 @default.
• W1993704292 cites W1970127494 @default.
• W1993704292 cites W1970711764 @default.
• W1993704292 cites W1971294721 @default.
• W1993704292 cites W1975183334 @default.
• W1993704292 cites W1975540394 @default.
• W1993704292 cites W1978420029 @default.
• W1993704292 cites W1979259050 @default.
• W1993704292 cites W1980780509 @default.
• W1993704292 cites W1981368803 @default.
• W1993704292 cites W1981503403 @default.
• W1993704292 cites W1981590485 @default.
• W1993704292 cites W1984498537 @default.
• W1993704292 cites W1987288550 @default.
• W1993704292 cites W1990304958 @default.
• W1993704292 cites W1990583255 @default.
• W1993704292 cites W1991149034 @default.
• W1993704292 cites W1994511116 @default.
• W1993704292 cites W2002853978 @default.
• W1993704292 cites W2003744196 @default.
• W1993704292 cites W2003753041 @default.
• W1993704292 cites W2007886167 @default.
• W1993704292 cites W2008586773 @default.
• W1993704292 cites W2011377242 @default.
• W1993704292 cites W2011865052 @default.
• W1993704292 cites W2017428450 @default.
• W1993704292 cites W2017943582 @default.
• W1993704292 cites W2021233563 @default.
• W1993704292 cites W2021840372 @default.
• W1993704292 cites W2024364124 @default.
• W1993704292 cites W2025276052 @default.
• W1993704292 cites W2031373766 @default.
• W1993704292 cites W2031430816 @default.
• W1993704292 cites W2032917059 @default.
• W1993704292 cites W2036113194 @default.
• W1993704292 cites W2038583777 @default.
• W1993704292 cites W2041317060 @default.
• W1993704292 cites W2042160555 @default.
• W1993704292 cites W2044591029 @default.
• W1993704292 cites W2046612048 @default.
• W1993704292 cites W2049079467 @default.
• W1993704292 cites W2051089320 @default.
• W1993704292 cites W2059611601 @default.
• W1993704292 cites W2072738595 @default.
• W1993704292 cites W2081748140 @default.
• W1993704292 cites W2083222334 @default.
• W1993704292 cites W2084609852 @default.
• W1993704292 cites W2090663322 @default.
• W1993704292 cites W2094233935 @default.
• W1993704292 cites W2099668314 @default.
• W1993704292 cites W2114701864 @default.
• W1993704292 cites W2122427541 @default.
• W1993704292 cites W2124364008 @default.
• W1993704292 cites W2125364726 @default.
• W1993704292 cites W2142412171 @default.
• W1993704292 cites W2145117406 @default.
• W1993704292 cites W2152071497 @default.
• W1993704292 cites W2314471543 @default.
• W1993704292 cites W2330435951 @default.
• W1993704292 cites W2334177138 @default.
• W1993704292 cites W2802178028 @default.
• W1993704292 cites W2994746008 @default.
• W1993704292 cites W4239168009 @default.
• W1993704292 cites W4242302267 @default.
• W1993704292 cites W656294911 @default.
• W1993704292 doi "https://doi.org/10.1007/s11244-014-0355-8" @default.
• W1993704292 hasPublicationYear "2014" @default.
• W1993704292 type Work @default.
• W1993704292 sameAs 1993704292 @default.
• W1993704292 citedByCount "60" @default.
• W1993704292 countsByYear W19937042922015 @default.
• W1993704292 countsByYear W19937042922016 @default.
• W1993704292 countsByYear W19937042922017 @default.
• W1993704292 countsByYear W19937042922018 @default.
• W1993704292 countsByYear W19937042922019 @default.
• W1993704292 countsByYear W19937042922020 @default.
• W1993704292 countsByYear W19937042922021 @default.
• W1993704292 countsByYear W19937042922022 @default.
• W1993704292 countsByYear W19937042922023 @default.
• W1993704292 crossrefType "journal-article" @default.
• W1993704292 hasAuthorship W1993704292A5038550012 @default.
• W1993704292 hasAuthorship W1993704292A5043745476 @default.
• W1993704292 hasAuthorship W1993704292A5075097508 @default.
• W1993704292 hasBestOaLocation W19937042922 @default.
• W1993704292 hasConcept C102931765 @default.
• W1993704292 hasConcept C106773901 @default.
• W1993704292 hasConcept C121332964 @default.

• next