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Updated: Sep 12, 2025

Synthesis and Testing of Supported Pt-Cu Solid Solution Nanoparticle Catalysts for Propane Dehydrogenation
Published on: July 18, 2017
Machine learning driven rational design of AuAgPdHgCu HEA catalysts for the two-electron oxygen reduction reaction
Abstract:
This study integrated high-throughput DFT calculations and machine learning to screen AuAgPdHgCu high-entropy alloy catalysts, revealing that negative d-band shifts of Hg/Cu optimize ΔG*OOH for an enhanced 2e- ORR activity. Structure-activity analysis identified an optimal configuration (0.97 ideal active sites), guiding efficient catalyst design.
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