The Role of Redox, Acid/Base and Collective Properties and of Crystalline State of Heterogeneous Catalysts in the Selective Oxidation of Hydrocarbons

ChemInform ◽  
2003 ◽  
Vol 34 (28) ◽  
Author(s):  
Jacques C. Vedrine
Keyword(s):  
Selective Oxidation ◽  
Crystalline State ◽  
Heterogeneous Catalysts ◽  
Acid Base ◽  
Oxidation Of Hydrocarbons

Selective oxidation of hydrocarbons employing tellurium containing heterogeneous catalysts

1990 ◽  
Vol 57 (1) ◽  
pp. 149-166 ◽  
Author(s):  
Robert K. Grasselli ◽  
Gabriele Centi ◽  
Ferruccio Trifiro'
Keyword(s):  
Selective Oxidation ◽  
Heterogeneous Catalysts ◽  
Oxidation Of Hydrocarbons

Role of Acid–Base Properties of SiO2-Based Catalysts in the Selective Oxidation of Propane

1997 ◽  
Vol 167 (1) ◽  
pp. 296-299 ◽  
Author(s):  
V. Sokolovskii ◽  
F. Arena ◽  
N. Giordano ◽  
A. Parmaliana
Keyword(s):  
Selective Oxidation ◽  
Acid Base ◽  
Base Properties

Ethanol conversion over Ga2O3-ZrO2 solid solution: empirical evidences of the reaction pathway, the surface acid–base property, and role of isolated gallium ion

2021 ◽  
Author(s):  
Takashi Yamamoto ◽  
Akihito Kurimoto ◽  
Riona Sato ◽  
Shoki Katada ◽  
Hirotaka Mine ◽  
...  
Keyword(s):  
Solid Solution ◽  
Reaction Pathway ◽  
Ethanol Conversion ◽  
Acid Base ◽  
Base Property ◽  
Temperature Range ◽  
Acid Base Property

Ethanol conversion by Ga2O3-ZrO2 solid solution was examined in the temperature range 573–773 K, and acetone/isobutene formation was confirmed under cofeeding of H2O vapor. The reaction pathway was empirically investigated...

scholarly journals Elucidating the Influence of Electric Fields toward CO2 Activation on YSZ (111)

Catalysts ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 271
Author(s):  
Nisa Ulumuddin ◽  
Fanglin Che ◽  
Jung-Il Yang ◽  
Su Ha ◽  
Jean-Sabin McEwen
Keyword(s):  
Electric Field ◽  
Electric Fields ◽  
Heterogeneous Catalysts ◽  
Co2 Reduction ◽  
Total Density ◽  
Reverse Water Gas Shift ◽  
High Thermodynamic Stability ◽  
Shift Reaction ◽  
Water Gas

Despite its high thermodynamic stability, the presence of a negative electric field is known to facilitate the activation of CO2 through electrostatic effects. To utilize electric fields for a reverse water gas shift reaction, it is critical to elucidate the role of an electric field on a catalyst surface toward activating a CO2 molecule. We conduct a first-principles study to gain an atomic and electronic description of adsorbed CO2 on YSZ (111) surfaces when external electric fields of +1 V/Å, 0 V/Å, and −1 V/Å are applied. We find that the application of an external electric field generally destabilizes oxide bonds, where the direction of the field affects the location of the most favorable oxygen vacancy. The direction of the field also drastically impacts how CO2 adsorbs on the surface. CO2 is bound by physisorption when a +1 V/Å field is applied, a similar interaction as to how it is adsorbed in the absence of a field. This interaction changes to chemisorption when the surface is exposed to a −1 V/Å field value, resulting in the formation of a CO3− complex. The strong interaction is reflected through a direct charge transfer and an orbital splitting within the Olatticep-states. While CO2 remains physisorbed when a +1 V/Å field value is applied, our total density of states analysis indicates that a positive field pulls the charge away from the adsorbate, resulting in a shift of its bonding and antibonding peaks to higher energies, allowing a stronger interaction with YSZ (111). Ultimately, the effect of an electric field toward CO2 adsorption is not negligible, and there is potential in utilizing electric fields to favor the thermodynamics of CO2 reduction on heterogeneous catalysts.

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