Embedded atom method study of Cu deposition on Ag(111)

Pópolo, Mario Del; Leiva, E.P.M.

doi:10.1016/s0022-0728(97)80066-6

Cited by 5 publications

(7 citation statements)

References 19 publications

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“…The EAM has been parametrized to fit experimental data like elastic constants, dissolution enthalpies of binary alloys, bulk lattice constants and sublimation heaths [27]. Pair functionals have been widely used for surface diffusion studies and adsorption of metals on metallic surfaces [14,30,31].…”

Section: Interatomic Potentialmentioning

confidence: 99%

“…The present work deals with the computer simulation of Ag deposition of Au(100) by means of the Grand Canonical Monte Carlo method and the interatomic potential given by the embedded atom method (EAM), which has been previously employed by some of us to study electrochemical systems [14]. We developed a simulation scheme that combines the simplicity of the lattice model of the surface with the many body properties of the metallic binding.…”

Section: Introductionmentioning

confidence: 99%

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Monte Carlo simulation for the formation and growth of low dimensionality phases during underpotential deposition of Ag on Au(100)

Giménez

Pópolo

Leiva

1999

Electrochimica Acta

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Simulation studies are undertaken for the system Ag/Au(100) by means of grand canonical Monte Carlo applied to a large lattice system. The interactions are calculated using the embedded atom model. The formation of adsorbed Ag phases of low dimensionality on Ag(100) is investigated and the influence of surface defects on the shape of the adsorption isotherms is studied. The results of the simulations are discussed in the light of experimental information available from electrochemical measurements.

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Section: Interatomic Potentialmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Monte Carlo simulation for the formation and growth of low dimensionality phases during underpotential deposition of Ag on Au(100)

Giménez

Pópolo

Leiva

1999

Electrochimica Acta

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“…12 Pair functionals have been successfully used for surface diffusion studies and adsorption of metals on metallic surfaces. [15][16][17] Lattice model.-Lattice models for computer simulations have been widely used in studies of nucleation and growth, because they allow simulations with a large number of particles at a relatively low computational cost. The reason for this advantage is the use of fixed rigid lattices that enormously restrict the number of possible configurations for the adsorbate as compared with a model where, in principle, all positions in space are available.…”

Section: Model and Simulation Methodsmentioning

confidence: 99%

“…The EAM has been parametrized to fit experimental data like elastic constants, dissolution enthalpies of binary alloys, bulk lattice constants and sublimation heaths [11]. Pair functionals have been successfully used for surface diffusion studies and adsorption of metals on metallic surfaces [14,15,16].…”

Section: Model and Simulation Methods 31 Interatomic Potentialmentioning

confidence: 99%

Theoretical Considerations of Electrochemical Phase Formation for an Ideal Frank-van der Merwe System

Giménez¹,

Pópolo²,

Leiva³

et al. 2002

J. Electrochem. Soc.

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Static calculation and preliminary kinetic Monte Carlo simulation studies are undertaken for the nucleation and growth on a model system which follows a Frank-van der Merwe mechanism. In the present case, we consider the deposition of Ag on Au͑100͒ and Au͑111͒ surfaces. The interactions were calculated using the embedded atom model. The kinetics of formation and growth of 2D Ag structures on Au͑100͒ and Au͑111͒ is investigated and the influence of surface steps on this phenomenon is studied. Very different time scales are predicted for Ag diffusion on Au͑100͒ and Au͑111͒, thus rendering very different regimes for the nucleation and growth of the related 2D phases. These observations are drawn from the application of a model free of any adjustable parameter.The electrodeposition of a metal ͑Me͒ onto a foreign solid surface ͑S͒ is one of the most extensively studied subjects in surface electrochemistry. This electrochemical phase formation phenomenon is a key aspect in important technological processes such as electroplating and electrocatalysis. In recent years, the application of in situ local probe microscopy ͑SPM͒ techniques such as scanning tunneling microscopy ͑STM͒ and atomic force microscopy ͑AFM͒ provided a powerful tool to observe the initial stages of these processes on an atomic level. In a number of cases, metal overlayers can be electrodeposited onto a foreign metal substrate at a potential that is less negative than the Nernst equilibrium potential of the 3D metal phase. This so-called underpotential deposition process ͑UPD͒ occurs in the undersaturation or underpotential range, given by convention aswhere E is the actual electrode potential, E 3DMe represents the equilibrium potential of the 3D metal phase, and ⌬E is the underpotential shift.The UPD process has been well characterized for many systems with the SPM techniques and the preceding formation of metal phases of low dimensionality ͑0D, 1D, 2D͒ have been analyzed. [1][2][3][4][5][6] The stability ranges of these iD Me phases ͑i ϭ 0, 1, 2, 3͒ can be formally described by Nernst-type equationswhere a Me zϩ denotes the activity of Me zϩ ions within the electrolyte, a iDMe is the activity of the iD Me phase, which is a constant for a condensed Me phase, and E iDMe 0 represents the corresponding equilibrium potential. Usually, the electrochemical formation of the low dimensional condensed phases occurs under supersaturation conditions, whereas their dissolution takes place under undersaturation conditions. For an iD Me phase, the corresponding overpotential deposition ͑OPD͒ or supersaturation range, is given bywhere iDMe is the overpotential corresponding to the iD Me phase. The formation of these iD Me phases is strongly influenced by surface defects like kinks, vacancies, chemical impurities, monoatomic steps, stacking faults, etc. The crystal surface can also be considered as a 2D crystal imperfection and plays an important role in the UPD phenomena. Thus, the stepwise formation of lowdimensional Me phases on a substrate in the underpotential ...

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“…The OPD phenomenon could be explained by the lower binding energy of a Cu adatom on Ag than the Cu bulk cohesive energy. [30,31] Figure 1b shows the comparative CV scans between MF and BF deposition processes. There are two specific local deposition peak features appearing at different voltages during a forward potential scan, which could correspond to the two-electron transfer steps involved in the reduction of the cupric ions in the solution, [32,33] as indicated in the same figure.…”

Section: Cyclic Voltammetric Studymentioning

confidence: 99%

Controllable Simultaneous Bifacial Cu‐Plating for High‐Efficiency Crystalline Silicon Solar Cells

et al. 2022

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Bifacial (BF) copper‐plated crystalline silicon solar cell is an attractive topic to concurrently reduce silver consumption and maintain good device performance. However, it is still challenging to realize a high aspect ratio (AR) of the metal fingers. Herein, a new type of hybrid‐shaped Cu finger is electromagnetically fabricated in a BF plating process. Cyclic voltammetry is employed to disclose the electrochemical behaviors of cupric ions in monofacial and simultaneous BF Cu‐plating processes, such that the controllability of the plating process could be assessed. The optimal hybrid Cu finger is composed of a rectangular bottom part and a round top part, such that an utmost effective AR value of 1.73 is reached. In BF Cu‐plating, two sub‐three‐electrode electrochemical cells are employed to realize equal metal finger heights on both sides of the wafer. Compared to our low thermal‐budget screen‐printing metallization, the Cu‐plated silicon heterojunction devices show both optical and electrical advantages (based on lab‐scale tests). The champion BF Cu‐plated device shows a front‐side efficiency of 22.1% and a bifaciality factor of 0.99.

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Embedded atom method study of Cu deposition on Ag(111)

Cited by 5 publications

References 19 publications

Monte Carlo simulation for the formation and growth of low dimensionality phases during underpotential deposition of Ag on Au(100)

Monte Carlo simulation for the formation and growth of low dimensionality phases during underpotential deposition of Ag on Au(100)

Theoretical Considerations of Electrochemical Phase Formation for an Ideal Frank-van der Merwe System

Controllable Simultaneous Bifacial Cu‐Plating for High‐Efficiency Crystalline Silicon Solar Cells

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