Hu, Shuozhen Che, Fanglin Khorasani, Bita Jeon, Mina Yoon, Chang Won McEwen, Jean-Sabin Scudiero, Louis Ha, Su 2024-01-19T19:02:34Z 2024-01-19T19:02:34Z 2021-09-04 2019-10-05 0926-3373 https://pubs.kist.re.kr/handle/201004/119466 Pd-based bimetallic nanoparticles have superior electrochemical activity and stability for formic acid oxidation (FAO) than pure Pd. Previous DFT-based calculations show that the catalytic properties of the Pd surface could be altered by modifying its electronic properties. However, only a few experimental studies investigate how the electronic properties of Pd are modified by introducing various metals and how the resulting electronic perturbation affects its electrochemical activity and stability for FAO. Here, we demonstrate a correlation between electrochemistry and electronic properties for Pd-M bimetallic nanoparticles (M = Ru, Pt, Cu, Au, and Ag). The volcano shape relationship obtained between activity and d-band center values suggests that the electronic effects play a major role in modifying the surface electrochemical properties of Pd-M bimetallic nanoparticles for FAO. Among all the bimetallic catalysts investigated in this study, Pd-Pt/C and Pd-Cu/C with d-band center values of 2.58 eV and 2.85 eV, respectively, demonstrate the highest activities and Pd-Cu/C exhibits the highest stability for FAO. English ELSEVIER TOTAL-ENERGY CALCULATIONS CORE-SHELL NANOPARTICLES MOLECULAR-DYNAMICS FACILE SYNTHESIS CATALYSTS SURFACE DECOMPOSITION PERFORMANCE ALLOY SIZE Improving the electrochemical oxidation of formic acid by tuning the electronic properties of Pd-based bimetallic nanoparticles Article 10.1016/j.apcatb.2019.03.072 1 APPLIED CATALYSIS B-ENVIRONMENTAL, v.254, pp.685 - 692 APPLIED CATALYSIS B-ENVIRONMENTAL 254 685 692 scie scopus 000472697500069 2-s2.0-85066010491 Chemistry, Physical Engineering, Environmental Engineering, Chemical Chemistry Engineering Article TOTAL-ENERGY CALCULATIONS CORE-SHELL NANOPARTICLES MOLECULAR-DYNAMICS FACILE SYNTHESIS CATALYSTS SURFACE DECOMPOSITION PERFORMANCE ALLOY SIZE Pd-based bimetallic nanoparticles d-band center Formic acid electrochemical oxidation Volcano plot DFT-based calculations