DFT comparison of the performance of bare Cu and Cu-alloyed Co single-atom catalyst for CO2 synthesizing of methanol
Sign Up to like & getrecommendations! Published in 2018 at "Theoretical Chemistry Accounts"
DOI: 10.1007/s00214-018-2196-1
Abstract: Copper-based catalysts have been widely used for CO2 synthesizing of methanol, while enhancing the productivity of methanol is a big challenge. Here, we chose Co as the partner of Cu, designed an alloyed Co single-atom… read more here.
Keywords: synthesizing methanol; co2; alloyed single; single atom ... See more keywords
C2H2 semi-hydrogenation on the metal M (M = Cu, Ag, Au) alloyed single-atom Pd catalysts: Effects of Pd coordination number and environment on the catalytic performance
Sign Up to like & getrecommendations! Published in 2021 at "Chemical Engineering Science"
DOI: 10.1016/j.ces.2021.116786
Abstract: Abstract Aiming at understanding the effects of Pd coordination number and environment on the catalytic performance of C2H2 semi-hydrogenation, DFT calculations were performed to illustrate C2H2 semi-hydrogenation mechanism on the M(M = Cu, Ag, Au) alloyed single-atom… read more here.
Keywords: single atom; c2h2 semi; coordination number; alloyed single ... See more keywords