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Tuning the Activities of Cu2O Nanostructures via the Oxide-Metal Interaction

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TLDR
In this article, the authors investigated the oxide-metal interaction and showed that the interface with Cu2O Nanostructures (NSs) on Pt exhibit much lower thermal stability than on Ag and Au, although they show the same surface and edge structures, as identified by element-specific scanning tunneling microscopy images.
Abstract
Despite tremendous importance in catalysis, the design and improvement of the oxide- metal interface has been hampered by the limited understanding on the nature of interfacial sites, as well as the oxide-metal interaction (OMI). Through the construction of well-defined Cu2O-Pt, Cu2O-Ag, Cu2O-Au interfaces, we found that Cu2O Nanostructures (NSs) on Pt exhibit much lower thermal stability than on Ag and Au, although they show the same surface and edge structures, as identified by element-specific scanning tunneling microscopy (ES-STM) images. The activities of the Cu2O-Pt and Cu2O-Au interfaces for CO oxidation were further compared at the atomic scale and showed in general that the interface with Cu2O NSs could annihilate the CO-poisoning problem suffered by Pt group metals and enhance the interaction with O2, which is a limiting step for CO oxidation catalysis on group IB metals. While both interfaces could react with CO at room temperature, the OMI was found to determine the reactivity of supported Cu2O NSs by 1) tuning the activity of interfacial oxygen atoms and 2) stabilizing oxygen vacancies or vice versa, the dissociated oxygen atoms at the interface. Our study provides new insight for OMI and for the development of Cu-based catalysts for low temperature oxidation reactions.

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Generalized Gradient Approximation Made Simple

TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.

TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
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Lattice-strain control of the activity in dealloyed core–shell fuel cell catalysts

TL;DR: It is shown how lattice strain can be used experimentally to tune the catalytic activity of dealloyed bimetallic nanoparticles for the oxygen-reduction reaction, a key barrier to the application of fuel cells and metal-air batteries.
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Review of Pt-based bimetallic catalysis: from model surfaces to supported catalysts.

TL;DR: The chiral stationary phase for high-performance liquid chromatography showed good chiral recognition ability and the chiral phase showed good Raman recognition ability, which is important for future generations of racemates.
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Spectroscopic Observation of Dual Catalytic Sites During Oxidation of CO on a Au/TiO2 Catalyst

TL;DR: Infrared-kinetic measurements indicate that O-O bond scission is activated by the formation of a CO-O2 complex at dual Ti-Au sites at the Au/TiO2 interface, and density functional theory calculations confirm this model.
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