Double-Stranded Water on Stepped Platinum Surfaces

The interaction of platinum with water plays a key role in (electro)catalysis. Herein, we describe a combined theoretical and experimental study that resolves the preferred adsorption structure of water wetting the Pt(111)-step type with adjacent (111) terraces. Double stranded lines wet the step edge forming water tetragons with dissimilar hydrogen bonds within and between the lines. Our results qualitatively explain experimental observations of water desorption and impact our thinking of solvation at the Pt electrochemical interface

Elucidation of temperature-programmed desorption of high-coverage hydrogen on Pt(211), Pt(221), Pt(533) and Pt(553) based on density functional theory calculations

Publisher's version (útgefin grein)In this work we compute high-coverage hydrogen adsorption energies and geometries on the stepped platinum surfaces Pt(211) and Pt(533) which contain a (100)-step type and the Pt(221) and Pt(553) surface with a (111) step edge. We discuss these results in relation to ultra-high-vacuum temperature programmed desorption (TPD) data to elucidate the origin of the desorption features. Our results indicated that on surfaces with a (100)-step type, two distinct ranges of adsorption energy for the step and terrace are observed, which mirrors the TPD spectra for which we find a clear separation of the desorption peaks. For the (111) step type, the TPD spectra show much less separation of the step and terrace features, which we assign to the low individual adsorption energies for H atoms on this step edge. From our results we obtain a much clearer understanding of the surface-hydrogen bonding at high coverages and the origin of the different TPD features present for the two step types studied.We gratefully acknowledge financial support from the Netherlands Organization for Scientific Research (NWO) as a TOP grant awarded to LBFJ and MTMK. This work was sponsored also by the NWO Exacte Wetenschappen, EW (NWO Physical Sciences Division) for the use of supercomputer facilities, with financial support from the Nederlandse Organisatie voor Wetenschappelijk Onderzoek (Netherlands Organisation for Scientific Research, NWO). Furthermore, we would like to thank the Nordic High Performance Computing Center (NHPC) and the New Zealand eScience Infrastructure (NeSi), funded jointly by NeSI’s collaborator institutions and through the Ministry of Business, Innovation and Employment’s research infrastructure programme. JAGT acknowledges the support of the U.S. Department of Energy, Chemical Sciences, Geosciences, and Biosciences (CSGB) Division of the Office of Basic Energy Sciences, via Grant DE-AC02-76SF00515 to the SUNCAT Center for Interface Science and Catalysis.Peer Reviewe

Microwave-assisted synthesis of Eu3+ doped lanthanum orthoborates, their characterizations and luminescent properties

LaBO3 with various particle sizes have been successfully prepared by microwave-assisted combustion and sol-gel synthesis methods. Urea, citric acid and glycine have been used as fuels during the synthesis process. Characterizations were done by X-ray diffraction (XRD), Fourier Transform Infrared (FTIR) Spectroscopy, Photoluminescence Excitation and Emission Spectroscopies, Scanning Electron Microscopy (SEM), and Transmission Electron Microscopy (TEM). The SEM micrographs show dissimilar morphologies of powders with different particle sizes. Luminescent properties of 2.5%, 5.0%, and 7.5% Eu doped LaBO3 synthesized with three different fuels were compared. The results showed that a 5% level is the critical doping amount for all, and the one synthesized with urea gives rise to the stronger emissions compared to others

How Well Does Pt(211) Represent Pt[ n

Catalysis and Surface Chemistr