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Chemicals, plastics and rubber industries

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Removal pathways of surface nitrogen in a steady-state NO+CO reaction on Pd(110) and Rh(110): Angular and velocity distribution studies

Article Abstract:

An analyses of the angular and velocity distribution of desorbing products N2 and CO2 is presented in the steady-state NO+CO reaction on Pd(110) and Rh(110) by cross-correlation time-of-flight techniques. The inclined desorption was assigned to the decomposition of the intermediate N2O(a)->N2(g)+O(a), and the normally directed component was proposed to be due to the associative desorption of adsorbed nitrogen atoms, 2N(a)->N2(g).

Author: Matsushima, Tatsuo, Rzeznicka, Izabela I., Ma, Yunsheng
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
Carbon Monoxide, Nitrogen Oxide Gases, Nitrogen oxides, Nitrogen oxide

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DFT study of a weakly pi-bonded C2H4 on oxygen-covered Ag(100)

Article Abstract:

The coadsorption of ethylene C2H4 and atomic oxygen on Ag(100) was studied using density functional theory, which indicates that the binding is increase whenever the coordination of surface Ag atoms is small. Results indicate that the increased reactivity of surface Ag atoms is because of their decreased coordination due to the push out effect of oxygen underneath more than to their oxidation.

Author: Kokalj, Anton, de Gironcoli, Stefano, Baroni, Stefano, Corso, Andrea Dal
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
Cyclic Crude and Intermediate Manufacturing, Ethylene, Electric properties

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A DFT study of the structures of N2O adsorbed on the Pd(110) surface

Article Abstract:

The adsorption structures predicted by DFT are characterized. Two stable forms where terminal N atom is attached to the surface or is lying horizontally on the surface is found.

Author: Kobal, Ivan, Kokalj, Anton, Matsushima, Tatsuo
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
Nitrogen Dioxide, Structure

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Subjects list: Palladium, Chemical properties, Research, Density functionals, Density functional theory
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