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Frontispiece: Spectroscopic Observation and Molecular Dynamics Simulation of Ga Surface Segregation in Liquid Pd–Ga Alloys
Author(s) -
Grabau Mathias,
Erhard Jannis,
Taccardi Nicola,
Calderon Sandra Krick,
Wasserscheid Peter,
Görling Andreas,
Steinrück HansPeter,
Papp Christian
Publication year - 2017
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201787064
Subject(s) - bimetallic strip , gallium , x ray photoelectron spectroscopy , molecular dynamics , materials science , palladium , catalysis , liquid metal , atmospheric temperature range , porosity , chemical physics , dynamics (music) , range (aeronautics) , metal , chemistry , crystallography , analytical chemistry (journal) , chemical engineering , thermodynamics , computational chemistry , metallurgy , composite material , physics , organic chemistry , acoustics , engineering
An inhomogeneous distribution of Palladium atoms in liquid Gallium is shown by means of a combination of angle resolved X‐ray photoelectron spectroscopy and molecular dynamics simulations based on density‐functional theory in a temperature range between room temperature and 750 K. This effect is expected to be of high relevance for a novel liquid metal catalyst consisting of a bimetallic Pd/Ga catalyst supported on porous SiO 2 . For more information see the Full Paper by C. Papp et al. on page 17701 ff.