About: Adsorption geometry of benzene on $\ab{Pd(110)}$: Results of first-principles calculations

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Attributs	Valeurs
type	work Article
Is Part Of	http://hub.abes.fr/edp/periodical/epl/2000/volume_52/issue_6/w
Subject	Interdisciplinary physics and related areas of science and technology
Title	Adsorption geometry of benzene on $\ab{Pd(110)}$: Results of first-principles calculations
Date	2000-01-01(xsd:dateTime)
has manifestation of work	http://hub.abes.fr/edp/periodical/epl/2000/volume_52/issue_6/6344/m/print http://hub.abes.fr/edp/periodical/epl/2000/volume_52/issue_6/6344/m/web
related by	http://hub.abes.fr/edp/periodical/epl/2000/volume_52/issue_6/6344/authorship/3 http://hub.abes.fr/edp/periodical/epl/2000/volume_52/issue_6/6344/authorship/2 http://hub.abes.fr/edp/periodical/epl/2000/volume_52/issue_6/6344/authorship/1
Author	Favot, F. Dal Corso Andrea Baldereschi, A.
Abstract	The atomic structure of the Pd(110)- $c(4\times2)$-benzene system has been determined by means of ab initio slab calculations. A C2 low-symmetry equilibrium configuration is predicted. The corresponding azimuthal angle $\theta\sim11^{\circ}$ of the adsorbed molecule is partly due to lateral interactions. The aromatic ring looses planar geometry and the C-H bonds bend away from the metal. STM images calculated for the C2 configuration are compatible with recent experimental data.
article type	research-article
publisher identifier	6344
Date Copyrighted	2000-01-01(xsd:dateTime)
Rights	© EDP Sciences, 2000
Rights Holder	EDP Sciences
is part of this journal	Europhysics Letters
is primary topic of	http://hub.abes.fr/edp/periodical/epl/2000/volume_52/issue_6/6344/w/record

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