Topic
Chemisorption
About: Chemisorption is a research topic. Over the lifetime, 16298 publications have been published within this topic receiving 554989 citations.
Papers published on a yearly basis
Papers
More filters
TL;DR: Using density functional theory, it is demonstrated that while the N atom carries a negative charge, of overriding importance is a reduction in the surface overspill electron density into the vacuum, when that charge is engaged in bonding to the adatom.
Abstract: For many decades it has been assumed that an adsorbate centered above a metal surface and with a net negative charge should increase the work function of the surface. However, despite their electronegativity, N adatoms on Wf100g cause a significant work function decrease. Here we present a resolution of this anomaly. Using density functional theory, we demonstrate that while the N atom carries a negative charge, of overriding importance is a reduction in the surface overspill electron density into the vacuum, when that charge is engaged in bonding to the adatom. This novel interpretation is fundamentally important in the general understanding of work function changes induced by atomic adsorbates.
118 citations
TL;DR: Electron density difference analysis implies that the significant charge accumulation around sulfur atom of adsorbed HgS molecule is closely associated with the strong interaction between gaseous HGS and pyrite surface.
118 citations
TL;DR: In this article, a density functional theory framework was used to calculate the chemisorption energies for CO and atomic oxygen on the Pt(111) surface, showing that the CO adsorption surface is relatively flat and that the 5σ and 2π molecular orbitals contribute to bonding with the metal.
118 citations
TL;DR: Experimental evidence for atomic chain formation during stretching of atomic-sized contacts for gold and silver, that is strongly enhanced due to oxygen incorporation, is reported.
Abstract: We report experimental evidence for atomic chain formation during stretching of atomic-sized contacts for gold and silver, that is strongly enhanced due to oxygen incorporation. While gold has been known for its tendency to form atomic chains, for silver this is only observed in the presence of oxygen. With oxygen the silver chains are as long as those for gold, but the conductance drops with chain length to about 0.1 conductance quantum. A relation is suggested with previous work on surface reconstructions for silver (110) surfaces after chemisorption of oxygen.
118 citations
TL;DR: In this article, a modified Langmuir-Hinshelwood model with competitive adsorption between p-chloronitrobenzene (CNB) and hydrogen has been studied, in methanol suspension, at 303 K and atmospheric pressure, over a series of Pt/Al2O3 and PtM/Al 2O3 catalysts.
118 citations