Journal ArticleDOI
Interaction between adatoms on surfaces: Application to the system H/Ni(111)
J.P. Muscat,D.M. Newns +1 more
TLDR
In this article, the authors used the embedded cluster model of chemisorption for the problem of two hydrogen atoms on a free electron surface with simple derivation of the well known R−5 asymptotic behaviour for the interaction, at large inter-adatom distances R, compared to the corresponding R−3 behaviour for two impurities in a bulk free electron gas.About:
This article is published in Surface Science.The article was published on 1981-04-02. It has received 22 citations till now. The article focuses on the topics: Chemisorption & Free electron model.read more
Citations
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Journal ArticleDOI
Theory of chemisorption and reactions on metal surfaces
Jerry L. Whitten,H. Yang +1 more
TL;DR: A review of theoretical methods used to describe chemisorption and adsorbate reactions on metal surfaces is contained in this paper, where a comprehensive perspective on state-of-the-art electronic structure methods suitable for these problems and a review of applications that illustrate current capabilities of theory are presented.
Journal ArticleDOI
Microscopic model for the poisoning and promotion of adsorption rates by electronegative and electropositive atoms
TL;DR: In this paper, a theoretical framework for comparing binding energies and activation energies for adsorption on surfaces based on the effective medium theory is presented, which is applied to a microscopic description of the mechanisms underlying the promotion and poisoning of the molecular adaption process on metal surfaces by co-adsorbed species.
Journal ArticleDOI
Dissociative adsorption of H2 on Ni(111)
Hong Yang,Jerry L. Whitten +1 more
TL;DR: In this article, the authors performed ab initio configuration interaction calculations to study the dissociative adsorption of H2 on a Ni(111) surface, where the lattice is modeled as an embedded three-layer 41-atom cluster.
Journal ArticleDOI
Synergistic effect of 2-butyne-1,4-diol and pulse plating on the structure and properties of nickel nanocrystalline deposits
TL;DR: In this article, the authors applied both direct current (DC) and pulse current electroplating (PC) from an additive-free Watts type bath and in the presence of 2-butyne-1,4-diol (BD).
Journal ArticleDOI
Metal-support interactions in heterogeneous catalysis
TL;DR: In this article, the authors considered the range over which a catalyst support can be expected to influence the electron density of states of a metal particle and showed that the effect of the support on catalyst reactivity is vanishingly small.
References
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Journal ArticleDOI
Chemisorption geometry of hydrogen on Ni(111): Order and disorder
TL;DR: In this paper, the location of a half monolayer of ordered hydrogen adatoms on Ni(111) has been analyzed by Low-Energy Electron Diffraction (LEED), Thermal Desorption Spectroscopy (TDS), and Work Function (Δφ) measurements.
Journal ArticleDOI
Indirect Interaction between Adatoms on a Tight-Binding Solid
TL;DR: In this paper, a general scheme for calculating the surface density of states change and the interaction energy of one and two single-level adatoms is presented, and contact (and a correction) is made with Grimley's formulation.