Electronic and crystal structure of the Pt(111)-(2 × 2)-K and Cu(111)-(2 × 2)-K systems

Koroteev, Yury M.; Чулков, Е. В.

doi:10.1016/bs.aiq.2019.07.002

Cited by 2 publications

(2 citation statements)

References 102 publications

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“…Such spatial localization of this surface state can explain its disappearance upon the deposition of various adlayers. In particular, it occurs in the case of the alkali atom ultra-thin coverage on Cu (111) [65,66] and Pt(111) [66] as well as in the case of the Pt thin film adsorption [54]. The same behavior we observe in the present case of Ir adsorption on Au(111).…”

Section: A Clean Au(111) and Ir(111) Surfacessupporting

confidence: 82%

Spin-orbit splitting of quantum well states in n -monolayer Ir/Au(111) heterostructures

et al. 2020

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The effect of spin-orbit coupling on quantum well states (QWSs) in atomically thin Ir adlayers deposited on the Au(111) substrate is studied in the framework of the density functional theory. Varying the Ir film thickness from 1 to 3 atomic layers, we find numerous Ir-derived QWSs, which are mainly of d character. The resulting band dispersion of QWSs appearing around the surface Brillouin zone center in a wide Au(111) energy gap is analyzed in the framework of the Rashba model. In all such QWSs, the fitted values of the Rashba parameter exceed 2 eV Å. The maximal value of 6.4 eV Å was obtained for the 1-monolayer-Ir/Au(111) system. We explain such large spin splitting by hybridization between different QWSs. Strong enhancement is observed in the density of electronic states at the surface in the energy region around the Fermi level caused by these QWSs.

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Section: A Clean Au(111) and Ir(111) Surfacessupporting

confidence: 82%

Spin-orbit splitting of quantum well states in n -monolayer Ir/Au(111) heterostructures

et al. 2020

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“…There are two atoms (= two active sites) per a 2 , or 1.54 × 10 15 surface atoms/cm 2 . 66 To get the number of surface atoms available in a given experiment, we multiply the number of surface atoms/cm 2 by the electrochemically active surface area of the electrode (A ECSA = A geo × RF), where A geo is the geometric electrode area and RF is the roughness factor.…”

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confidence: 99%

Pulsing the Applied Potential in Electrochemical CO₂ Reduction Enhances the C₂ Activity by Modulating the Dynamic Competitive Binding of CO and H

Casebolt DiDomenico,

Levine,

Bundschu

et al. 2024

ACS Catal.

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We explore dynamic electrocatalysis by pulsing the applied potential to modulate the temporal microenvironment during the electrochemical reduction of CO 2 . We focus on copper electrodes by virtue of their unique ability to bind *CO intermediates and enable C−C coupling to form high-value C 2 products, such as ethylene or ethanol. We examine the well-known competition between *CO and *H for active sites, as their relative coverage is crucial for enhancing the formation of C 2 products. We found that pulsing the applied potential can significantly enhance the electrocatalytic activity of C−C coupling, increasing the turnover frequency of C 2 products by up to 33-fold compared to potentiostatic electrolysis. We interpret this improvement in the context of oscillating surface coverage and the transient dynamics of the *CO/*H coverage during the cathodic pulse. Through a combination of experimental and computational methods, we investigate how pulse frequency influences the turnover frequency of CO 2 to C 2 products on Cu. Our study not only validates recent theoretical predictions about the potential of dynamic (electro)catalysis to surpass the limitations imposed by the Sabatier limit but also uncovers scientific and mechanistic insights into dynamic processes within the electrical double layer. These insights are instrumental in formulating design principles for pulsed CO 2 electrolysis with enhanced C 2 activity. The outcomes of this study lay a foundational framework for future advances in programmable CO 2 electrolysis with improved activity, selectivity, and durability.

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Electronic and crystal structure of the Pt(111)-(2 × 2)-K and Cu(111)-(2 × 2)-K systems

Cited by 2 publications

References 102 publications

Spin-orbit splitting of quantum well states in n -monolayer Ir/Au(111) heterostructures

Spin-orbit splitting of quantum well states in n -monolayer Ir/Au(111) heterostructures

Pulsing the Applied Potential in Electrochemical CO₂ Reduction Enhances the C₂ Activity by Modulating the Dynamic Competitive Binding of CO and H

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Electronic and crystal structure of the Pt(111)-(2 × 2)-K and Cu(111)-(2 × 2)-K systems

Cited by 2 publications

References 102 publications

Spin-orbit splitting of quantum well states in n -monolayer Ir/Au(111) heterostructures

Spin-orbit splitting of quantum well states in n -monolayer Ir/Au(111) heterostructures

Pulsing the Applied Potential in Electrochemical CO2 Reduction Enhances the C2 Activity by Modulating the Dynamic Competitive Binding of *CO and *H

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Pulsing the Applied Potential in Electrochemical CO₂ Reduction Enhances the C₂ Activity by Modulating the Dynamic Competitive Binding of CO and H