Composition-Tuned Pt-Skinned PtNi Bimetallic Clusters as Highly Efficient Methanol Dehydrogenation Catalysts - Richard Palmer (Chemistry of Materials, 2019)
STEM images and histograms of diameter distributions of clusters; DFT calculations of the mixing energy of tetramers; atomic-scale HAADF–STEM image of Au0.7Ag0.3 BC; TPD traces for methanol-d4 desorption from a SiO2 surface; CD3 mass signal (after background subtraction) measured during methanol decomposition; CO2 signal collected during methanol decomposition; overview of the CO binding energy as a function of d-band population for various Pt surfaces in Pt353Ni106and Pt4174Ni144 clusters; CO–Pt binding energy (in eV) for various Pt adsorption sites in Pt353Ni106 and Pt417Ni144; d-electron population of the atoms in Pt353Ni106 and Pt417Ni144 calculated using the Löwdin and Mulliken charge analysis methods; average charges on the Pt and Ni atoms in the Pt353Ni106 and Pt417Ni144 BCs, analyzed using four different charge decomposition methods; and additional material including a comparison of the preparation and structures of Au–Ag BCs with Pt–Ni BCs, TPD experiment and analysis procedures, and details on the DFT calculations (PDF)pdfcm9b02824_si_001.pdf (730.78 kb)