Topic
Chemisorption
About: Chemisorption is a research topic. Over the lifetime, 16298 publications have been published within this topic receiving 554989 citations.
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TL;DR: In this paper, the authors have performed electronic structure calculations on the chemisorption of atomic oxygen on Ag(110) and on the subsequent reaction of this chemisorbbed oxygen with ethylene.
Abstract: The authors have performed electronic structure calculations on the chemisorption of atomic oxygen on Ag(110) and on the subsequent reaction of this chemisorbed oxygen with ethylene. These calculations show that the presence of subsurface oxygen (i) reduces the bond energy between silver and adsorbed oxygen and (ii) converts the repulsive interaction between adsorbed oxygen and (gas-phase) ethylene into an attractive one, thus making possible the epoxidation reaction. The presence of subsurface oxygen diminishes an important four-electron destabilizing interaction (Pauli repulsion) between the occupied ethylene {pi} orbital and a surface oxygen lone-pair orbital by shifting the band of ethylene {pi}-oxygen lone-pair antibonding orbitals largely above the Fermi level. As for total combustion of ethylene, we do not find any C-H bond activation for several different geometries in which ethylene approaches the adsorbed oxygen atom.
131 citations
TL;DR: The MgNCs@MOF stores hydrogen by both physi- and chemisorptions, exhibiting synergistic effects to decrease the isosteric heat of H( 2) physisorption compared with that of pristine MOF, and decrease the H(2) chemisOrption/desorption temperatures by 200 K compared with those of bare Mg powder.
Abstract: Hexagonal-disk-shaped magnesium nanocrystals (MgNCs) are fabricated within a porous metal-organic framework (MOF, see picture). The MgNCs@MOF stores hydrogen by both physi- and chemisorptions, exhibiting synergistic effects to decrease the isosteric heat of H(2) physisorption compared with that of pristine MOF, and decrease the H(2) chemisorption/desorption temperatures by 200 K compared with those of bare Mg powder.
130 citations
TL;DR: In this paper, a rate law was proposed for hydrogenation of p-chloronitrobenzene (CNB) in methanol suspension at 303 K and atmospheric pressure, over a series of Pt/Al2O3 catalysts of varying dispersion.
130 citations
TL;DR: In this article, the authors used high-resolution scanning tunneling microscopy (STM) and temperature-programmed desorption (TPD) to study the interaction of O2 with reduced TiO2(110)-(1×1) crystals.
130 citations
TL;DR: In this article, a mechanistic investigation of the electrochemical oxidation of methanol was worked out in alkaline medium in order to interpret the effect of some foreign metal ad-atoms (Pb, Bi, Cd, Tl) on the electrocatalytic activity of platinum.
130 citations