Effect of the chemical order on the electrocatalytic activity of model PtCo electrodes in the oxygen reduction reaction

Lebedeva, Marina V.; Pierron‐Bohnes, V.; Goyhenex, C.; Papaefthimiou, Vasiliki; Zafeiratos, Spyridon; Nazmutdinov, Renat R.; Costa, V. Da; Acosta, Manuel; Zosiak, L.; Kozubski, R.; Müller, D.; Savinova, Elena R.

doi:10.1016/j.electacta.2013.07.038

Cited by 44 publications

(41 citation statements)

References 61 publications

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“…By a spinpolarized electronic structure analysis, it resulted that the d-band width of intermetallic PtM (1:1) catalysts is much smaller than that of random alloys. 74 Following RPC, for O-PtNi/C, the ORR MA slightly decreased (ca. 10%) and the Pt/Ni ratio slightly increased to 1.4, whereas for D-PtNi/C, the ORR MA of D-PtNi/C decreased by 28% and the Pt/Ni ratio increased to 3.2, showing that the intermetallic PtNi phase is electrochemically and structurally more stable than the random PtNi solid solution.…”

Section: Stability Of Disordered Cubo-octahedral Fcc Pt 1-x Ni X Namentioning

confidence: 99%

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The oxygen reduction on Pt-Ni and Pt-Ni-M catalysts for low-temperature acidic fuel cells: A review

Antolini¹

2018

Int J Energy Res

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Summary For its wide availability and low cost, nickel is a promising candidate to be used as a cocatalyst in Pt‐based catalysts for proton exchange membrane fuel cells. Among Pt‐M (M = transition metal) catalysts for oxygen reduction, Pt‐Ni is the one which can be used in various forms, that is, as disordered Pt1‐xNix solid solutions, ordered intermetallic phases, octahedral‐shaped structures (with a preferential {111} facet orientation), dealloyed structures, and hollow and 1‐dimensional nanostructures. In this work, an overview of the oxygen reduction on Pt‐Ni and Pt‐Ni‐M (M = Co, Fe, Cu) catalysts and their stability in proton exchange membrane fuel cell environment is presented.

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Section: Stability Of Disordered Cubo-octahedral Fcc Pt 1-x Ni X Namentioning

confidence: 99%

“…The significant enhancement in specific activity for O‐PtNi/C was ascribed to electronic and structural effects. By a spin‐polarized electronic structure analysis, it resulted that the d ‐band width of intermetallic PtM (1:1) catalysts is much smaller than that of random alloys …”

Section: Orr On Pt‐ni Electrocatalystsmentioning

confidence: 99%

The oxygen reduction on Pt-Ni and Pt-Ni-M catalysts for low-temperature acidic fuel cells: A review

Antolini¹

2018

Int J Energy Res

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“…A quantum‐chemical approach to calculate

Δ (ε)

in a direct way has been developed in Ref. in order to explain catalytic properties of ordered and disordered PtCo alloys in the first step of the O 2 reduction. As the metal surface was represented by clusters, the pertinent equation for

Δ (ε)

takes the form,

\begin{matrix} Δ (ε) = π \sum_{k = 1}^{N_{α}} {| V_{k f}^{α} (ε_{k}) |}^{2} δ (ε_{k}^{α} - ε) \\ + π \sum_{k = 1}^{N_{β}} {| V_{k f}^{β} (ε_{k}) |}^{2} δ (ε_{k}^{β} - ε), \end{matrix}

where

ε_{i}^{α (β)}

are the energy levels of

α

‐ and

β

‐molecular orbitals of the cluster;

N_{α (β)}

are the numbers of

α

‐ and

β

‐electrons;

V_{k f}^{α} (ε_{k})

and

V_{k f}^{β} (ε_{k})

are coupling matrix elements.…”

Section: Theory Models and Computational Approachesmentioning

confidence: 99%

Modeling of electron transfer across electrochemical interfaces: State‐of‐the art and challenges for quantum and computational chemistry

Nazmutdinov

Bronshtein

Zinkicheva

et al. 2015

Int J of Quantum Chemistry

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State-of-the-art in the area of quantum-chemical modeling of electron transfer (ET) processes at metal electrode/electrolyte solution interfaces is reviewed. Emphasis is put on key quantities which control the ET rate (activation energy, transmission coefficient, and work terms). Orbital overlap effect in electrocatalysis is thoroughly discussed. The advantages and drawbacks of cluster and periodical slab models for a metal electrode when describing redox processes are analyzed as well. It is stressed that reliable quantitative estimations of the rate constants of interfacial charge transfer reactions are hardly possible, while predictions of qualitatively interesting effects are more valuable.

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“…So far, a large number of studies reported Pt-Co alloy nanoparticles prepared by wet techniques. Although the number of publications devoted to PtCo materials obtained by physical deposition methods is relatively small [14][15][16][17], it has been proved that a catalyst prepared in such a way is also promising for ORR. In our previous studies we have showed that simultaneous magnetron sputtering of Pt and Co leads to the formation of Pt-Co alloy catalyst film [18,19].…”

Section: Introductionmentioning

confidence: 99%

In-situ electrochemical atomic force microscopy study of aging of magnetron sputtered Pt-Co nanoalloy thin films during accelerated degradation test

Khalakhan

Vorokhta

Václavů

et al. 2016

Electrochimica Acta

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Effect of the chemical order on the electrocatalytic activity of model PtCo electrodes in the oxygen reduction reaction

Cited by 44 publications

References 61 publications

The oxygen reduction on Pt-Ni and Pt-Ni-M catalysts for low-temperature acidic fuel cells: A review

The oxygen reduction on Pt-Ni and Pt-Ni-M catalysts for low-temperature acidic fuel cells: A review

Modeling of electron transfer across electrochemical interfaces: State‐of‐the art and challenges for quantum and computational chemistry

In-situ electrochemical atomic force microscopy study of aging of magnetron sputtered Pt-Co nanoalloy thin films during accelerated degradation test

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