Phase transitions at electrode interfaces

Blum, L.; Huckaby, Dale A.; Legault, M.

doi:10.1016/0013-4686(96)00051-5

Cited by 61 publications

(64 citation statements)

References 83 publications

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“…(For reviews and discussion of the HB approach, see Refs. [25,26].) Some preliminary results of this study have been reported in Refs.…”

Section: Introductionmentioning

confidence: 83%

“…Our lattice-gas model for the UPD of Cu on Au(111) in sulfate-containing electrolyte is a refinement of the HB model [12,13,[21][22][23][24][25][26]. It is based on the assumption that the sulfate coordinates the triangular Au(111) surface (STM indicates that the (1×23) reconstruction observed by LEED (see Sec.…”

Section: Model and Theoretical Methodsmentioning

confidence: 99%

“…The first detailed, statistical-mechanical lattice-gas model for a UPD system was introduced by Huckaby and Blum (HB), who considered the electrosorption of copper (Cu) onto the (111) plane of gold [Au(111)] in the presence of sulfate [12,13,[21][22][23][24][25][26]. This system also has been intensively studied by a number of experimental techniques (see Sec.…”

Section: Introductionmentioning

confidence: 99%

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Underpotential deposition of Cu on Au(111) in sulfate-containing electrolytes: A theoretical and experimental study

Zhang

Sung

Rikvold

et al. 1996

The Journal of Chemical Physics

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We study the underpotential deposition of Cu on single-crystal Au(111) electrodes in sulfate-containing electrolytes by a combination of computational statistical-mechanics based lattice-gas modeling and experiments. The experimental methods are in situ cyclic voltammetry and coulometry and ex situ Auger electron spectroscopy and low-energy electron diffraction. The experimentally obtained voltammetric current and charge densities and adsorbate coverages are compared with the predictions of a two-component lattice-gas

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“…(For reviews and discussion of the HB approach, see Refs. [25,26].) Some preliminary results of this study have been reported in Refs.…”

Section: Introductionmentioning

confidence: 83%

Section: Model and Theoretical Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Underpotential deposition of Cu on Au(111) in sulfate-containing electrolytes: A theoretical and experimental study

Zhang

Sung

Rikvold

et al. 1996

The Journal of Chemical Physics

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“…Such models describe the adsorbate layer by a Hamiltonian which gives the energies of different adsorbate configurations. Early studies [7,8,9] together with later applications to problems such as the adsorption of urea on Pt(100) [10,11] and the UPD of Cu with sulfate on Au(111) [2,7], in or near equilibrium, are discussed in recent review articles [12,13,14]. In particular, that work provided estimates for effective lateral interaction energies, based on comparison of the theoretical predictions with experimentally observed equilibrium adsorption isotherms and voltammetric currents for small potential sweep rates.…”

Section: Introductionmentioning

confidence: 99%

Simulated Dynamics of Underpotential Deposition of Cu with Sulfate on Au(111)

Brown

Rikvold

Novotny

et al. 1999

J. Electrochem. Soc.

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Numerical studies of lattice-gas models are well suited to describe multi-adsorbate systems. One example is the underpotential deposition of Cu on Au(111) in the presence of sulfuric acid. Preliminary results from dynamic Monte Carlo simulations of the evolution of the adsorbed layer during potential-step experiments across phase transitions are presented for this particular system. The simulated current profiles reproduce a strong asymmetry seen in recent experiments. Examination of the microscopic structures that occur during the simulated evolution processes raises questions that need to be investigated by further experimental and theoretical study.

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“…Previous studies trying to model specific anion adsorption have treated atop and fourfold hollow adsorption of ions on fcc͑100͒, atop and threefold hollow adsorption on fcc͑111͒ surfaces, and more recently also bridge adsorption on fcc͑111͒ surfaces. [6][7][8][9][10] From these studies it has become clear that the combination of the adsorption site and the lateral interactions defines the voltammogram shape and the ordered structure formed.…”

Section: Introductionmentioning

confidence: 99%

Bridge-bonded adsorbates on fcc(100) and fcc(111) surfaces: A kinetic Monte Carlo study

et al. 2006

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The adsorption of a bridge-bonded molecule onto fcc͑100͒ and fcc͑111͒ surfaces is studied using kinetic Monte Carlo simulations. The results are related to examples from both the electrochemical and the ultrahigh vacuum field. The lateral interaction model for the fcc͑100͒ surface with the least excluded neighbor sites does not cause ordering in the adlayer at saturation coverage. This is due to the availability of two equivalent bridge sites per surface atom. The model with the most excluded sites on the other hand causes the formation of a c͑4 ϫ 2͒ ordered structure with a coverage of 0.25 ML. Surprisingly, for the model with intermediate-ranged lateral interactions a one-dimensionally ordered structure is found. In this one-dimensionally ordered structure, bridge-bonded anions are aligned along the ͱ 2 direction. The spacing between these rows varies, since each new row can form at either one of the two kinds of bridge site per surface atom. The local distribution between these one-dimensional rows can be described by, respectively, a c͑2 ͱ 2 ϫ ͱ 2͒ or a ͑ ͱ 2 ϫ ͱ 2͒ unit cell ͓the latter one is also referred to as c͑2 ϫ 2͔͒. On the fcc͑111͒ surface, once again no ordered structure is found for the model with the smallest number of excluded sites. For the models with more excluded sites a c͑4 ϫ 2͒ ordered structure ͓also known as c͑2 ϫ ͱ 3͔͒ and a ͑ ͱ 3 ϫ ͱ 7͒ ordered structure are formed, the coverages being 0.50 and 0.20 ML, respectively. The simulated voltammograms generally show a broad peak due to adsorption in a disordered phase, and, if a two-dimensionally ordered structure is formed, a second sharp peak due to a disorder-order transition in the adlayer. The formation of the one-dimensionally ordered structure does not cause an additional current peak in the voltammogram.

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Phase transitions at electrode interfaces

Cited by 61 publications

References 83 publications

Underpotential deposition of Cu on Au(111) in sulfate-containing electrolytes: A theoretical and experimental study

Underpotential deposition of Cu on Au(111) in sulfate-containing electrolytes: A theoretical and experimental study

Simulated Dynamics of Underpotential Deposition of Cu with Sulfate on Au(111)

Bridge-bonded adsorbates on fcc(100) and fcc(111) surfaces: A kinetic Monte Carlo study

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