منابع مشابه
Selective knockout of gold active sites.
KEYWORDS Electrochemistry • gold • kinetics • radicals • voltammetry 2 ABSTRACT It has long been known that defects on a gold surface play an important role in electrocatalysis, but the precise mechanism has always been unclear. This work indicates that the defect sites provide partially filled d-orbitals that stabilize free-radical intermediates. Strong evidence for this hypothesis is that the...
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It is well known that gold nanoparticles supported on TiO2 act as a catalyst for CO oxidation, even below room temperature. Despite extensive studies, the origin of this catalytic activity remains under debate. Indeed, when the particle size decreases, many changes may occur; thus modifying the nanoparticles' electronic properties and consequently their catalytic performances. Thanks to a state...
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complex as we deal with highly complex mixtures of structures that co-exist in the active catalyst. There may in many cases not just be a single structure for an active site, rather there may be a range of structures which display a broad spectrum of activities and specificities. For example in heterogeneously catalysed oxidation catalysis different sites are considered responsible for the form...
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Catalysis by gold supported on reducible oxides has been extensively studied, yet issues such as the nature of the catalytic site and the role of the reducible support remain fiercely debated topics. Here we present ab initio molecular dynamics simulations of an unprecedented dynamic single-atom catalytic mechanism for the oxidation of carbon monoxide by ceria-supported gold clusters. The repor...
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We present an ab initio investigation of structural, electronic, catalytic, and selective properties of the ligand-covered gold nanoparticle Au55(PPh3)12Cl6 and associated model clusters. The catalytic activity of the Au55(PPh3)12Cl6 nanoparticle in the presence of O2 stems from a combined effect of triphenylphosphine ligands and surface structure of the "magic-number" quasi-icosahedral Au55 co...
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ژورنال
عنوان ژورنال: Angewandte Chemie
سال: 2010
ISSN: 0044-8249
DOI: 10.1002/ange.201000485