Journal
ACS APPLIED MATERIALS & INTERFACES
Volume 10, Issue 44, Pages 38109-38116Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acsami.8b14166
Keywords
Pd/Au core/shell nanocubes; thin Au layer; lattice strain; calculation; H2O2 synthesis
Funding
- National Research Foundation of Korea (NRF) - Ministry of Science, ICT, AMP
- Future Planning [2014R1A5A1009799]
- National Research Foundation of Korea (NRF) - Korean government (MSIP) [NRF-2016M3D1A1021140]
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The catalytic properties of materials are determined by their electronic structures, which are based on the arrangement of atoms. Using precise calculations, synthesis, analysis, and catalytic activity studies, we demonstrate that changing the lattice constant of a material can modify its electronic structure and therefore its catalytic activity. Pd/Au core/shell nanocubes with a thin Au shell thickness of 1 nm exhibit high H2O2 production rates due to their improved oxygen binding energy (Delta E-O) and hydrogen binding energy (Delta E-H), as well as their reduced activation barriers for key reactions.
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