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Water dissociation on the low-coordinated sites of MgO nanopowders

Published online by Cambridge University Press:  06 February 2019

Fabio Finocchi ,
Francia Haque ,
Stéphane Chenot ,
Jacques Jupille  and
Slavica Stankic
Fabio Finocchi*
Affiliation:
Sorbonne Université, CNRS-UMR 7588, Institut des Nanosciences de Paris, F-75252 Paris Cedex 05, France
Francia Haque
Affiliation:
Sorbonne Université, CNRS-UMR 7588, Institut des Nanosciences de Paris, F-75252 Paris Cedex 05, France
Stéphane Chenot
Affiliation:
Sorbonne Université, CNRS-UMR 7588, Institut des Nanosciences de Paris, F-75252 Paris Cedex 05, France
Jacques Jupille
Affiliation:
Sorbonne Université, CNRS-UMR 7588, Institut des Nanosciences de Paris, F-75252 Paris Cedex 05, France
Slavica Stankic*
Affiliation:
Sorbonne Université, CNRS-UMR 7588, Institut des Nanosciences de Paris, F-75252 Paris Cedex 05, France
*
a)Address all correspondence to these authors. e-mail: [email protected]
b)e-mail: [email protected]
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Abstract

The configurations associated with the dissociative adsorption of water on a variety of low-coordinated sites of MgO(100) surfaces, including corners, steps, MgO vacancies, and kinks on 〈010〉 steps, have been studied and assigned by combining infrared spectroscopy and ab initio calculations. Three kinds of MgO powders were examined: powders of very high specific surface area prepared by chemical vapor synthesis and well-defined cubic smoke particles obtained by combustion in either 20:80 or 60:40 O2:Ar mixtures, the latter one involving less defects and smaller particles. It appears that an imperative requirement to obtain a precise characterization of the reactive behavior of defects is to keep the samples in ultra–high vacuum conditions and to control the water partial pressure finely.

Keywords

oxidedefectswateradsorptioninfrared (IR) spectroscopysimulations
Type
Invited Article
Information
Journal of Materials Research , Volume 34 , Issue 3: Focus Issue: Understanding Water-Oxide Interfaces to Harness New Processes and Technologies , 14 February 2019 , pp. 408 - 415
Copyright
Copyright © Materials Research Society 2019 

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