Challenge of the discharge of a hydronium ion at a mercury electrode: Beyond the Tafel plots

Nazmutdinov, Renat R.; Bronshtein, Michael D.; Wilhelm, Florian; Кузнецов, А. М.

doi:10.1016/j.jelechem.2007.04.013

Cited by 17 publications

(19 citation statements)

References 36 publications

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“…In addition, tunneling would produce different Tafel slopes for the two isotopes. [42] On the other hand, Krishtalik [45] claims to have found evidence for proton tunneling;t he matter has been further discussed by Nazmutdinov et al [46] We note that the potential energy surfaces that have been calculated by Santos et al [25,43] for the Volmer reaction on Hg show no region where the proton could tunnel.…”

Section: Hydrogen Evolutionmentioning

confidence: 79%

The Pre‐exponential Factor in Electrochemistry

Chen

Santos

et al. 2018

Angew Chem Int Ed

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Like many branches of science, not to mention culture in general, electrochemistry has a number of recurring topics: Areas of research that are popular for a certain time, then fade away as their possibilities seem to have been exhausted, only to return decades later as progress in experimental or theoretical techniques offer new possibilities for their investigation. A prime example are fuel cells, which have undergone five such cycles, but here we discuss a general concept of kinetics-the pre-exponential factor of a rate constant-which has undergone two such cycles. The first cycle was in the 1950-1980s, when the methods of electrochemical kinetics were developed, and the interpretation was based on transition-state theory. The second was triggered by the re-discovery of Kramers theory for reactions in condensed phases. This Minireview will show that the time has come for a third cycle based on recent progress in electrocatalysis.

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Section: Hydrogen Evolutionmentioning

confidence: 79%

The Pre‐exponential Factor in Electrochemistry

Chen

Santos

et al. 2018

Angew Chem Int Ed

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“…It is expedient here to consider briefly the barrierless discharge from the point of view of the quantum-mechanical theory of the elementary act of proton discharge [1,[29][30][31] (for the recent computational studies in this field see [32]). This theory accounts for existence of two different kinds of modes -the classical and the quantum ones.…”

Section: Resultsmentioning

confidence: 99%

Kinetics of the hydrogen evolution reaction on gold electrode. A new case of the barrierless discharge

Khanova¹,

Krishtalik²

2011

Journal of Electroanalytical Chemistry

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“…Another group of qualitatively important problems concerns the unusual behavior of experimental current–voltage dependencies for some redox couples (“pits,” wide Tafel plots, etc). The quantum‐chemical approach discussed above provides a basis for understanding such kinetic features at microscopic level without limitations of phenomenological theories. The effect of electrode material on the outer‐sphere ET rate has been modeled as well; this was proven to be very helpful for the interpretation of experimental data.…”

Section: Discussionmentioning

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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Challenge of the discharge of a hydronium ion at a mercury electrode: Beyond the Tafel plots

Cited by 17 publications

References 36 publications

The Pre‐exponential Factor in Electrochemistry

The Pre‐exponential Factor in Electrochemistry

Kinetics of the hydrogen evolution reaction on gold electrode. A new case of the barrierless discharge

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

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