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• W2147030106 abstract "Abstract Despite significant research efforts, designing bimetallic catalysts rationally remains a challenging task. Herein, we combine the strengths of high‐throughput experiments and DFT calculations synergistically to design new core–shell bimetallic catalysts. The total oxidation of propane is used as a probe, proof‐of‐concept reaction. The methodology is successful in designing three bimetallic catalysts. Of these catalysts, AgPd is cheaper, more active than the existing most active single‐metal catalyst (Pt), and stable under the reaction conditions. Extended X‐ray absorption fine structure characterization confirms the formation of a bimetallic alloy. This study provides a path forward for designing bimetallic catalysts rationally for vapor phase metal‐catalyzed reactions." @default.
• W2147030106 created "2016-06-24" @default.
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• W2147030106 date "2013-10-07" @default.
• W2147030106 modified "2023-10-18" @default.
• W2147030106 title "Core-Shell Nanocatalyst Design by Combining High-Throughput Experiments and First-Principles Simulations" @default.
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• W2147030106 doi "https://doi.org/10.1002/cctc.201300553" @default.
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