{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["15(30)"],"submitter":["Xue F"],"pubmed_abstract":["Excellent ethylene selectivity in acetylene semi-hydrogenation is often obtained at the expense of activity. To break the activity-selectivity trade-off, precise control and in-depth understanding of the three-dimensional atomic structure of surfacial active sites are crucial. Here, we designed a novel Au@PdCu core-shell nanocatalyst featuring diluted and stretched Pd sites on the ultrathin shell (1.6 nm), which showed excellent reactivity and selectivity, with 100% acetylene conversion and 92.4% ethylene selectivity at 122 °C, and the corresponding activity was 3.3 times higher than that of the PdCu alloy. The atomic three-dimensional decoding for the activity-selectivity balance was revealed by combining pair distribution function (PDF) and reverse Monte Carlo simulation (RMC). The resul"],"journal":["Chemical science"],"pagination":["11837-11846"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC11290329"],"repository":["biostudies-literature"],"pubmed_title":["Highly efficient semi-hydrogenation in strained ultrathin PdCu shell and the atomic deciphering for the unlocking of activity-selectivity."],"pmcid":["PMC11290329"],"pubmed_authors":["Xue F","Zhou L","Ren Y","Xing X","Deng J","Li Q","Xu H","Lv M","Ji W","Li T","Zeng J","Chen X","Lin K"],"additional_accession":[]},"is_claimable":false,"name":"Highly efficient semi-hydrogenation in strained ultrathin PdCu shell and the atomic deciphering for the unlocking of activity-selectivity.","description":"Excellent ethylene selectivity in acetylene semi-hydrogenation is often obtained at the expense of activity. To break the activity-selectivity trade-off, precise control and in-depth understanding of the three-dimensional atomic structure of surfacial active sites are crucial. Here, we designed a novel Au@PdCu core-shell nanocatalyst featuring diluted and stretched Pd sites on the ultrathin shell (1.6 nm), which showed excellent reactivity and selectivity, with 100% acetylene conversion and 92.4% ethylene selectivity at 122 °C, and the corresponding activity was 3.3 times higher than that of the PdCu alloy. The atomic three-dimensional decoding for the activity-selectivity balance was revealed by combining pair distribution function (PDF) and reverse Monte Carlo simulation (RMC). The resul","dates":{"release":"2024-01-01T00:00:00Z","publication":"2024 Jul","modification":"2025-05-29T19:06:45.383Z","creation":"2025-05-29T19:06:45.383Z"},"accession":"S-EPMC11290329","cross_references":{"pubmed":["39092101"],"doi":["10.1039/d4sc03291h"]}}