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• W4297174504 abstract "Alloy nanoparticles (nanoalloys) are widely applied in heterogeneous catalysts, advanced electrodes, biomaterials, and other areas. The properties of nanoalloys can be tuned to a significant extent by their structures and compositions, which are governed by the employed synthetic procedure. Often such synthesis occurs in non-equilibrium conditions and yields nanoalloys with structures and properties that are different from those obtained in thermodynamic equilibrium. In this work, we characterize how the non-equilibrium conditions during the synthesis of Cu–Au alloys via physical vapor deposition (PVD) affect their morphology, composition, electronic structure, and reactivity in CO oxidation. We used molecular dynamics to simulate the PVD synthesis of Cu–Au nanoalloys through the non-isothermal aggregation of Cu and Au atoms at a 3:1 ratio in the Ar atmosphere to obtain realistic structures of Cu–Au nanoparticles. Due to the different aggregation kinetics of Au and Cu atoms, the average Au concentration in the obtained Cu–Au particles varied between 14% and 50% depending on the nanoparticle size and the aggregation time. Density functional simulations revealed that the reactivity of the obtained Cu–Au clusters toward CO and oxygen as well as Brønsted–Evans–Polanyi relations for CO oxidation significantly depend on whether the clusters had fcc, icosahedral, or amorphous structures and do not strongly correlate with the d-band centers of the adsorption sites. Our study highlights the importance of the non-equilibrium character of nanoalloy structure and composition for their electronic structure and catalytic properties. The performed analysis of the reactivity of Cu–Au clusters with realistic structures in CO oxidation will help the optimization of Cu–Au catalysts for this societally important reaction." @default.
• W4297174504 created "2022-09-27" @default.
• W4297174504 creator A5022683692 @default.
• W4297174504 creator A5032037959 @default.
• W4297174504 creator A5050730481 @default.
• W4297174504 creator A5057895543 @default.
• W4297174504 creator A5082345309 @default.
• W4297174504 creator A5090886754 @default.
• W4297174504 date "2022-09-24" @default.
• W4297174504 modified "2023-10-13" @default.
• W4297174504 title "Cu–Au nanoparticles produced by the aggregation of gas‐phase metal atoms for CO oxidation" @default.
• W4297174504 cites W1114780895 @default.
• W4297174504 cites W1963989017 @default.
• W4297174504 cites W1970127494 @default.
• W4297174504 cites W1972452203 @default.
• W4297174504 cites W1972759256 @default.
• W4297174504 cites W1979583675 @default.
• W4297174504 cites W1982227988 @default.
• W4297174504 cites W1987167710 @default.
• W4297174504 cites W1987485238 @default.
• W4297174504 cites W1988291528 @default.
• W4297174504 cites W1991028218 @default.
• W4297174504 cites W1991149034 @default.
• W4297174504 cites W1991794210 @default.
• W4297174504 cites W1996412727 @default.
• W4297174504 cites W1998829124 @default.
• W4297174504 cites W2007359445 @default.
• W4297174504 cites W2013280577 @default.
• W4297174504 cites W2017196167 @default.
• W4297174504 cites W2019465613 @default.
• W4297174504 cites W2028056984 @default.
• W4297174504 cites W2030976617 @default.
• W4297174504 cites W2044240073 @default.
• W4297174504 cites W2047968138 @default.
• W4297174504 cites W2052500539 @default.
• W4297174504 cites W2058866236 @default.
• W4297174504 cites W2066768438 @default.
• W4297174504 cites W2067188176 @default.
• W4297174504 cites W2069396125 @default.
• W4297174504 cites W2069836089 @default.
• W4297174504 cites W2069970015 @default.
• W4297174504 cites W2070059498 @default.
• W4297174504 cites W2075434596 @default.
• W4297174504 cites W2083222334 @default.
• W4297174504 cites W2085033042 @default.
• W4297174504 cites W2087698390 @default.
• W4297174504 cites W2092157292 @default.
• W4297174504 cites W2098660546 @default.
• W4297174504 cites W2102572148 @default.
• W4297174504 cites W2106750554 @default.
• W4297174504 cites W2113692379 @default.
• W4297174504 cites W2119732183 @default.
• W4297174504 cites W2122291360 @default.
• W4297174504 cites W2122427541 @default.
• W4297174504 cites W2128253361 @default.
• W4297174504 cites W2137099657 @default.
• W4297174504 cites W2146462263 @default.
• W4297174504 cites W2150687058 @default.
• W4297174504 cites W2202057872 @default.
• W4297174504 cites W2270618148 @default.
• W4297174504 cites W2276974061 @default.
• W4297174504 cites W2290966472 @default.
• W4297174504 cites W2302473991 @default.
• W4297174504 cites W2317297910 @default.
• W4297174504 cites W2318551623 @default.
• W4297174504 cites W2318904139 @default.
• W4297174504 cites W2320444929 @default.
• W4297174504 cites W2320782382 @default.
• W4297174504 cites W2350638492 @default.
• W4297174504 cites W2438990463 @default.
• W4297174504 cites W2484667351 @default.
• W4297174504 cites W2493165164 @default.
• W4297174504 cites W2530230253 @default.
• W4297174504 cites W2567906828 @default.
• W4297174504 cites W2568556836 @default.
• W4297174504 cites W2592292222 @default.
• W4297174504 cites W2619141030 @default.
• W4297174504 cites W2744899954 @default.
• W4297174504 cites W2764164394 @default.
• W4297174504 cites W2767651316 @default.
• W4297174504 cites W2770576379 @default.
• W4297174504 cites W2778563033 @default.
• W4297174504 cites W2783290494 @default.
• W4297174504 cites W2798038136 @default.
• W4297174504 cites W2799534379 @default.
• W4297174504 cites W2799658059 @default.
• W4297174504 cites W2800855185 @default.
• W4297174504 cites W2800867421 @default.
• W4297174504 cites W2801852339 @default.
• W4297174504 cites W2811185652 @default.
• W4297174504 cites W2901109410 @default.
• W4297174504 cites W2908354489 @default.
• W4297174504 cites W2910105128 @default.
• W4297174504 cites W2920912893 @default.
• W4297174504 cites W2941098564 @default.
• W4297174504 cites W2944122915 @default.
• W4297174504 cites W2946659507 @default.
• W4297174504 cites W2947402293 @default.
• W4297174504 cites W2969452657 @default.
• W4297174504 cites W2972983917 @default.

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