Journal ArticleDOI
Theory of carbon monoxide chemisorption on transition metals
G. Doyen,Gerhard Ertl +1 more
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TLDR
In this paper, an Anderson formalism including overlap is used to treat the chemisorption of carbon monoxide on the transition metals Cu, Ni and Pd, where the wave functions of the metal surface are approximated by a linear combination of atomic d-orbitals, which are oriented in such a manner that maximum overlap with the 2π ∗ -orbital of CO is achieved.About:
This article is published in Surface Science.The article was published on 1974-05-01. It has received 244 citations till now. The article focuses on the topics: Chemisorption & Spectroscopy.read more
Citations
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Journal ArticleDOI
Infrared reflection-absorption spectroscopy of adsorbed molecules
TL;DR: Theoretical and experimental aspects of this method in a single reflection mode are discussed in this paper, where vibrational frequencies of the C-O stretch allow determination of adsorption sites.
Journal ArticleDOI
Chemisorption of CO on the Pt(111) surface
TL;DR: The work function at first decreases, exhibits a (temperature-dependent) minimum at θ = 13, attains nearly the value of the clean surface at 12 and again exhibits a second (shallow) minimum around 0.68 as mentioned in this paper.
Journal ArticleDOI
The chemisorption of carbon monoxide on palladium single crystal surfaces: IR spectroscopic evidence for localised site adsorption
TL;DR: In this article, combined IR reflection-absorption and LEED studies of the room temperature adsorption of carbon monoxide on the (100), (111) and (210) surfaces of palladium are reported.
Book ChapterDOI
Elementary Steps in the Catalytic Oxidation of Carbon Monoxide on Platinum Metals
T. Engel,Gerhard Ertl +1 more
TL;DR: In this article, the authors investigated the influence of surface structure on the catalytic activity of a single crystal whose surface was curved in such a way that not only the plane but also vicinals with varying step density of two different crystallographic directions were present.
Journal ArticleDOI
Catalytic synthesis of hydrocarbons from carbon monoxide and hydrogen
TL;DR: The Fischer-Tropsch synthesis reaction as mentioned in this paper is commonly referred to as the Fischer reaction and is used to produce a variety of organic products from coal, residua, oil shale, and tar sands.
References
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Journal ArticleDOI
An Extended Hückel Theory. I. Hydrocarbons
TL;DR: The Huckel theory, with an extended basis set consisting of 2s and 2p carbon and 1s hydrogen orbitals, with inclusion of overlap and all interactions, yields a good qualitative solution of most hydrocarbon conformational problems.
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Localized Magnetic States in Metals
TL;DR: In this article, the conditions necessary in metals for the presence or absence of localized moments on solute ions containing inner shell electrons are analyzed, and a self-consistent Hartree-Fock treatment is applied to show that there is a sharp transition between the magnetic state and the nonmagnetic state, depending on the density of states of free electrons, the $s\ensuremath{-}d$ admixture matrix elements, and the Coulomb correlation integral in the $d$ shell.
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Atomic Shielding Constants
TL;DR: In this article, simple rules are set up giving approximate analytic atomic wave functions for all the atoms, in any stage of ionization, in analogy with the method of Zener for the atoms from Li to F, and these are applied to x-ray levels, sizes of atoms and ions, diamagnetic susceptibility, etc.