On the surface properties of lead structures on Au(111), an atom dynamic approach

Mariscal, Marcelo M.; Schmickler, Wolfgang

doi:10.1016/j.jelechem.2004.11.045

Cited by 3 publications

(1 citation statement)

References 12 publications

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“…Using X-ray scattering, Toney et al [26] have shown that the Pb adlayer rotates 2.8 degrees with respect to the Au(111) substrate and that interatomic spacing decreases with increase of coverage. Adlayer rotations have also been found by Mariscal and Schmickler [33] using molecular dynamic simulations. Although Au and Pb do not form a stable bulk alloy, they ECS Transactions, 58 (32) 3-20 (2014) 4 could form a surface alloy.…”

Section: Ecs Transactions 58 (32) 3-20 (2014)supporting

confidence: 59%

A New Approach for the Calculation on the Entropic and Free Energy Contributions to Underpotential Deposition

Farigliano¹,

Villarreal²,

Oviedo³

et al. 2014

ECS Trans.

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In the present work we have studied the electrochemical nonpseudomorphic formation of Pb bidimensional structures on Au(111) surfaces. Based on the two-phase thermodynamic method, we have analyzed, from a computational perspective, entropic and energetic contributions to underpotential deposition. The occurrence of incommensurate nanophase formation, rotation of the adsorbate with respect to the substrate, and the effect of expansion and compression of the Pb monolayer were also analyzed. Our results show that the entropic contribution to monolayer underpotential deposition of Pb on Au(111) at room temperature is approximately 20% of the total free energy excess. For very small clusters, this contribution increases up to 45%. Simulations show that in the early stages of formation, Pb nanophases grow without rotation. When the size of the Pb islands is close 100 atoms, a rotation process takes places. At relatively high coverage, a strong lateral compression of Pb monolayer sets on, evidenced by a sharp decrease in the distance between nearest neighbors.

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Section: Ecs Transactions 58 (32) 3-20 (2014)supporting

confidence: 59%

A New Approach for the Calculation on the Entropic and Free Energy Contributions to Underpotential Deposition

Farigliano¹,

Villarreal²,

Oviedo³

et al. 2014

ECS Trans.

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Electrochemistry of Lead

Stroka

Maksymiuk

Galus

2006

Encyclopedia of Electrochemistry

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The sections in this article are Double‐layer Properties of Pb Electrodes Properties of Solid Electrodes Properties of Liquid Electrodes Adsorption on Solid Electrodes Electrochemical Properties and Kinetics of Lead and Lead Compounds Pb ( II )/ Pb ( Hg ) System Studies in the Presence of Inhibitors and Organic Solvents Other Phenomena Complexes of Pb ( II ) and Related Phenomena Electrochemical Processes of Liquid Lead in Molten Salts Voltammetric Behavior of Lead Sulfuric Acid Solutions Nitric Acid Solutions Phosphoric Acid Solutions Sodium Hydroxide Solutions Different Salt Solutions Voltammetric Behavior of Several Lead Compounds Pb O Pb O 2 Pb chalcogenides Electrodeposition and Underpotential Deposition of Lead on Solid Substrates Platinum Gold Silver Copper Carbon Silicon Germanium Other Materials Corrosion and Passivation Applied Electrochemistry Lead‐acid Batteries Electrocatalytic Properties Pb Pb O 2 Electrochemical Sensors Potentiometric Sensors Amperometric/Voltammetric Sensors

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A Quantum-Chemical Study of the Adsorption of Pb Atoms on Au(111)

Rogozhnikov

2018

Prot Met Phys Chem Surf

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On the surface properties of lead structures on Au(111), an atom dynamic approach

Cited by 3 publications

References 12 publications

A New Approach for the Calculation on the Entropic and Free Energy Contributions to Underpotential Deposition

A New Approach for the Calculation on the Entropic and Free Energy Contributions to Underpotential Deposition

Electrochemistry of Lead

A Quantum-Chemical Study of the Adsorption of Pb Atoms on Au(111)

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