CO2 Reduction Catalysts on Gold Electrode Surfaces Influenced by Large Electric Fields

2018 ◽  
Vol 140 (50) ◽  
pp. 17643-17655 ◽  
Author(s):  
Melissa L. Clark ◽  
Aimin Ge ◽  
Pablo E. Videla ◽  
Benjamin Rudshteyn ◽  
Christopher J. Miller ◽  
...  
Keyword(s):  
Electric Fields ◽  
Gold Electrode ◽  
Co2 Reduction ◽  
Electrode Surfaces ◽  
Reduction Catalysts

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.

scholarly journals An in situ study of reconstructed gold electrode surfaces by second harmonic generation

1989 ◽  
Vol 163 (2-3) ◽  
pp. 123-128 ◽  
Author(s):  
A. Friedrich ◽  
B. Pettinger ◽  
D.M. Kolb ◽  
G. Lüpke ◽  
R. Steinhoff ◽  
...  
Keyword(s):  
Second Harmonic Generation ◽  
Harmonic Generation ◽  
Gold Electrode ◽  
Second Harmonic ◽  
Electrode Surfaces ◽  
In Situ Study

Measurement of electric fields at electrode surfaces

1965 ◽  
Vol 1 (4) ◽  
pp. 110 ◽  
Author(s):  
J.M. Meek ◽  
M.M.C. Collins
Keyword(s):  
Electric Fields ◽  
Electrode Surfaces

Frontispiece: Judicious Ligand Design in Ruthenium Polypyridyl CO2 Reduction Catalysts to Enhance Reactivity by Steric and Electronic Effects

2016 ◽  
Vol 22 (42) ◽  
Author(s):  
Ben A. Johnson ◽  
Hemlata Agarwala ◽  
Travis A. White ◽  
Edgar Mijangos ◽  
Somnath Maji ◽  
...  
Keyword(s):  
Co2 Reduction ◽  
Ligand Design ◽  
Electronic Effects ◽  
Ruthenium Polypyridyl ◽  
Reduction Catalysts

scholarly journals Inhomogeneity of Interfacial Electric Fields at Vibrational Probes on Electrode Surfaces

2020 ◽  
Vol 6 (2) ◽  
pp. 304-311 ◽  
Author(s):  
Zachary K. Goldsmith ◽  
Maxim Secor ◽  
Sharon Hammes-Schiffer
Keyword(s):  
Electric Fields ◽  
Electrode Surfaces
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