2026-05-24T08:17:44Z https://archive.materialscloud.org/oai2d

oai:materialscloud.org:1051 2021-10-22T14:36:58Z openaire_data community-mcarchive

Rossi, Kevin Buonsanti, Raffaella Varandili, Seyedeh Behnaz Stoian, Dragos Vavra, Jan Rossi, Kevin Pankhurst, James R Guntern, Yannick Lopez, Nuria Buonsanti, Raffaella 2021-10-22 Understanding the catalyst compositional and structural features that control selectivity is of uttermost importance to target desired products in chemical reactions. In this joint experimental–computational work, we leverage tailored Cu/ZnO precatalysts as a material platform to identify the intrinsic features of methane-producing and ethanol-producing CuZn catalysts in the electrochemical CO2 reduction reaction (CO2RR). Specifically, we find that Cu@ZnO nanocrystals, where a central Cu domain is decorated with ZnO domains, and ZnO@Cu nanocrystals, where a central ZnO domain is decorated with Cu domains, evolve into Cu@CuZn core@shell catalysts that are selective for methane (∼52%) and ethanol (∼39%), respectively. Operando X-ray absorption spectroscopy and various microscopy methods evidence that a higher degree of surface alloying along with a higher concentration of metallic Zn improve the ethanol selectivity. Density functional theory explains that the combination of electronic and tandem effects accounts for such selectivity. These findings mark a step ahead towards understanding structure–property relationships in bimetallic catalysts for the CO2RR and their rational tuning to increase selectivity towards target products, especially alcohols. chemical/x-xyz text/markdown chemical/x-gamess-input chemical/x-gamess-input application/octet-stream text/plain https://doi.org/10.24435/materialscloud:3r-gn oai:materialscloud.org:1051 mcid:2021.165 eng Materials Cloud https://doi.org/10.1039/D1SC04271H https://pubs.rsc.org/en/content/articlepdf/2021/sc/d1sc04271h https://archive.materialscloud.org/communities/mcarchive https://doi.org/10.24435/materialscloud:k1-h4 info:eu-repo/semantics/openAccess Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode CO2RR DFT CO2 Cu CuZn ERC H2020 EPFL SNSF Elucidating the structure-dependent selectivity towards methane and ethanol of CuZn in the CO2 electroreduction using tailored Cu/ZnO precatalysts info:eu-repo/semantics/other