Structural motifs of water on metal oxide surfaces

2017 ◽  
Vol 46 (7) ◽  
pp. 1785-1806 ◽  
Author(s):  
Rentao Mu ◽  
Zhi-jian Zhao ◽  
Zdenek Dohnálek ◽  
Jinlong Gong
Keyword(s):  
Metal Oxide ◽  
Metal Oxides ◽  
Water Adsorption ◽  
Molecular Level ◽  
State Of The Art ◽  
The State ◽  
Oxide Surfaces ◽  
Structural Motifs ◽  
Metal Oxide Surfaces ◽  
Model Surfaces

This review describes the state-of-the-art of the molecular-level understanding of water adsorption, dissociation and clustering on model surfaces of metal oxides.

scholarly journals Investigation of Water Adsorption on Metal Oxide Surfaces under Conditions Representative of PuO2 Storage Containers

2013 ◽  
Vol 53 (21) ◽  
pp. 81-94 ◽  
Author(s):  
P. M. Murphy ◽  
C. Boxall ◽  
R. J. Taylor ◽  
D. A. Woodhead
Keyword(s):  
Metal Oxide ◽  
Water Adsorption ◽  
Oxide Surfaces ◽  
Metal Oxide Surfaces ◽  
Storage Containers

Oxygen-atom vacancy formation and reactivity in polyoxovanadate clusters

2020 ◽  
Vol 56 (88) ◽  
pp. 13477-13490
Author(s):  
Brittney E. Petel ◽  
Ellen M. Matson
Keyword(s):  
Oxygen Atom ◽  
Metal Oxide ◽  
Metal Oxides ◽  
Recent Work ◽  
Vacancy Formation ◽  
Oxide Surfaces ◽  
Metal Oxide Surfaces ◽  
Fundamental Understanding ◽  
Polyoxovanadate Clusters

Overview of recent work detailing oxygen-deficient polyoxovanadate clusters as models for reducible metal oxides: toward gaining a fundamental understanding the consequences of vacancy formation on metal oxide surfaces during catalysis.

Sulfonated Metal-Oxide Surfaces: What Makes them So Acidic?

1993 ◽  
Vol 318 ◽  
Author(s):  
Kim F. Ferris
Keyword(s):  
Sulfuric Acid ◽  
Metal Oxide ◽  
Electronic Structure Calculations ◽  
Acid Sites ◽  
Oxide Surfaces ◽  
Lewis Acid Sites ◽  
Metal Oxide Surfaces ◽  
Model Surfaces ◽  
Brønsted And Lewis Acid ◽  
Structure Calculations

ABSTRACTWhile some metal-oxide surfaces can be classified as acidic, after reacting with H2SO4 their acidity can be even higher than the parent sulfuric acid. In this paper, ab initio electronic structure calculations (3-21G+*//3-21G*) were performed on a series of model surfaces to examine these sulfonated species as strong, possibly even superacids. Our results indicate that the polarizing nature of the metal-oxide / sulfonate interaction stabilizes strong Bronsted and Lewis acid sites at the M-O surface and the sulfur center. Thermodynamic analysis has been performed to provide information for experimental verification.

scholarly journals Molecular-level assemblies on metal oxide surfaces

1996 ◽  
Author(s):  
J.R. Schoonover ◽  
C. Bignozzi ◽  
T. Meyer
Keyword(s):  
Metal Oxide ◽  
Molecular Level ◽  
Oxide Surfaces ◽  
Metal Oxide Surfaces

Effects of a conductive support on the bonding of oxygen containing molecules to transition metal oxide surfaces

2020 ◽  
Vol 22 (45) ◽  
pp. 26216-26222
Author(s):  
Hao Li ◽  
Jens K. Nørskov
Keyword(s):  
Transition Metal ◽  
Metal Oxide ◽  
Metal Oxides ◽  
Transition Metal Oxides ◽  
Transition Metal Oxide ◽  
Wide Bandgap ◽  
Oxide Surfaces ◽  
Metal Oxide Surfaces ◽  
Marked Enhancement ◽  
Metal Support

The presence of a metal support leads to a marked enhancement of ORR/OER adsorbate binding strengths on wide bandgap transition metal oxides.

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