Determination of the potentials of zero total charge of Pt(100) stepped surfaces in the [] zone. Effect of the step density and anion adsorption

Domke, Katrin F.; Herrero, Enrique; Rodes, A.; Feliu, Juan M.

doi:10.1016/s0022-0728(02)01471-7

Cited by 100 publications

(155 citation statements)

References 28 publications

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“…For the Pt(100) electrode in perchloric acid solutions, OH adsorption occurs at ca. 0.42 V, which is very close to the potential of zero total charge of the electrode [53]. On the other hand, the signals corresponding to OH adsorption on the step sites (for stepped surfaces vicinal to the (100) pole) appear at potentials below 0.15 V, which represent an electrode potential difference of at least 0.27 V, which is very close to the calculated energy difference [53].…”

supporting

confidence: 75%

“…0.42 V, which is very close to the potential of zero total charge of the electrode [53]. On the other hand, the signals corresponding to OH adsorption on the step sites (for stepped surfaces vicinal to the (100) pole) appear at potentials below 0.15 V, which represent an electrode potential difference of at least 0.27 V, which is very close to the calculated energy difference [53]. A similar situation is observed in alkaline solutions [56], where OH adsorption on the steps occurs above 0.45 V and the adsorption of OH on the steps is occurs below 0.15 V [56].…”

supporting

confidence: 58%

“…Step sites give contributions at potentials below 0.2 V [53,54]. As can be seen, there is a significant diminution of the signal corresponding to the terrace sites in the initial stages of the A c c e p t e d M a n u s c r i p t 9 deposition, especially those far away from the step, with a small diminution in the states below 0.3 V, which can be related to step decoration.…”

Section: Methodsmentioning

confidence: 87%

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On the electrochemical properties of platinum stepped surfaces vicinal to the (100) pole. A computational study

Ferre-Vilaplana

Gisbert

Herrero

2014

Electrochimica Acta

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Please cite this article as: Adolfo Ferre-VilaplanaRuben GisbertEnrique Herrero On the electrochemical properties of platinum stepped surfaces vicinal to the (100) pole. A computational study (2014), http://dx.doi.org/10.1016/j.electacta. 2014.01.138 This is a PDF file of an unedited manuscript that has been accepted for publication. As a service to our customers we are providing this early version of the manuscript. The manuscript will undergo copyediting, typesetting, and review of the resulting proof before it is published in its final form. Please note that during the production process errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain. Abstract.DFT studies on platinum stepped surfaces have been carried out in order to understand the differences in the electrochemical behavior between the surfaces with (111) and (100) terraces. Thus, adsorption energies of different species on selected surfaces have been computed. For the adsorption of Bi and Cu on the Pt(553) and Pt(711) surfaces, it has been found that that the adsorption energy on the site corresponding to the step decoration for the Pt(553) surface is ca. 0.5 eV higher than that calculated on the (111) terrace sites. On the other hand, there is no preferential adsorption site for Cu or Bi on the Pt(711) surface, since the energy differences between the different sites on this stepped surface with (100) terraces are very small. CO and OH adsorption on the surface with (100) terraces, namely the Pt(100), the Pt(711) and the Pt(510) surfaces, have been also investigated. The energy differences between step sites and terrace sites for both surfaces is very small, ca. 0.2 eV for OH adsorption and <0.1 eV for CO adsorption. For OH, the preferred adsorption mode is a bridge mode, whereas the adsorption energy for the on top and bridge configurations of CO are similar on those surfaces. The comparison with previous DFT calculations indicates that the Page 2 of 29 A c c e p t e d M a n u s c r i p t 2 perturbation created by the step on the (100) terrace is significantly smaller than that created on the (111) terraces. Thus, the modification of the electrochemical properties produced by the presence of a step in the (100) terrace is minor, in agreement with the experimental results.

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supporting

confidence: 75%

supporting

confidence: 58%

Section: Methodsmentioning

confidence: 87%

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On the electrochemical properties of platinum stepped surfaces vicinal to the (100) pole. A computational study

Ferre-Vilaplana

Gisbert

Herrero

2014

Electrochimica Acta

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“…A close look into whenE≤ 0.16 V, is due to adsorption of Hads on the {111} terrace atomic row adjacent to the step site (the border of the terraces), i.e. at the edge of the steps [16]. This adsorption is also given at Pt(s)[(n-1)(111)x(110)] surfaces, as can be appreciated inFig.…”

Section: Thermodynamic Analysis Of Temperature Effects In the Low Potmentioning

confidence: 88%

“…Two different step sites can be distinguished: those with {100} geometry and those with {110} geometry. Therefore, the study of the influence of steps, with different orientation, upon the electrochemical reactivity has become a relevant area [11][12][13][14][15][16][17][18][19][20][21][22][23][24][25].However, the understanding at microscopic scale of phenomena underneath voltammetric profiles, the distinction among different processes that could contribute to the voltammetric features and their dependence on various experimental parameters, is still far from being complete, and more work is still necessary to fully understand these simple signatures. In this sense, temperature dependence analysis of voltammetric profiles provides unique information about the electrochemical interface.…”

Section: Introductionmentioning

confidence: 99%

Thermodynamic properties of hydrogen–water adsorption at terraces and steps of Pt(111) vicinal surface electrodes

Gómez–Marín

Feliu

2016

Surface Science

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Abstract:In this work, the effect of the temperature on the adsorption states of Pt(111) vicinal surface electrodes in perchloric acid is studied through a thermodynamic analysis. The method allows calculating thermodynamic properties of the interface. In this framework, the concept of the generalized isotherm and the statistical thermodynamics description are applied to calculate formal entropies, enthalpies and Gibbs energies, ∆ 0 , of the adsorption processes at two-dimensional terraces and one-dimensional steps. These values are compared with data from literature. Additionally, the effect of the step density on∆ 0 and on the lateral interactions between adsorbed species, ωij, at terraces and steps is also determined. Calculated ∆ 0 , entropies and enthalpies are almost temperature-independent, especially at steps, but they depend on the step orientation. In contrast, ∆ 0 and ωij at terraces depend on the step density, following a linear tendency for terrace lengths larger than 5 atoms. However, while ∆ 0 increases with the step density, ωij decreases. Results were explaining by considering the modification in the energetic surface balance by hydrogen, Hads, and water, H2Oads, co-adsorption on the electrode, which in turn determines the whole adsorption processes on terraces and steps.

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Electrocatalytic Properties of Stepped Surfaces

Feliú

Herrero

Climent

2011

Catalysis in Electrochemistry

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Determination of the potentials of zero total charge of Pt(100) stepped surfaces in the [] zone. Effect of the step density and anion adsorption

Cited by 100 publications

References 28 publications

On the electrochemical properties of platinum stepped surfaces vicinal to the (100) pole. A computational study

On the electrochemical properties of platinum stepped surfaces vicinal to the (100) pole. A computational study

Thermodynamic properties of hydrogen–water adsorption at terraces and steps of Pt(111) vicinal surface electrodes

Electrocatalytic Properties of Stepped Surfaces

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