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Record W2342443238 · doi:10.1149/ma2015-01/31/1795

Modeling Oxide Formation and Reduction on Platinum

2015· article· en· W2342443238 on OpenAlexaff
Michael Eikerling

Bibliographic record

VenueECS Meeting Abstracts · 2015
Typearticle
Languageen
FieldMaterials Science
TopicCatalytic Processes in Materials Science
Canadian institutionsSimon Fraser University
Fundersnot available
KeywordsDissolutionOxidePlatinumElectrochemistryChemistryCyclic voltammetryInorganic chemistryMetalElectrodeKineticsMaterials scienceCatalysisPhysical chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

The formation and reduction of surface oxide species determine both the electrocatalytic activity of Pt towards the oxygen reduction reaction as well as the rate of corrosive Pt dissolution [1]. We perform theory and modeling work to rationalize the various stages of oxide formation and reduction at Pt and, subsequently, use it to explore mechanisms of Pt dissolution. Mechanistic models developed through this work strive to establish relations between metal phase potential and surface oxidation state that govern the transient current response of the electrode. The first part focuses on a recently developed kinetic model for oxide formation and reduction at Pt in the voltage range of 0.65–1.15 V [2]. The model is evaluated against electrochemical [3], spectroscopic [4] and computational studies [5]. The second part presents a kinetic model of oxide growth on platinum in the high voltage regime, above 1.15 V. The governing equations of the oxide growth model account for mass and charge conservation, species migration, and electric field effects. The model is expected to provide insights into different oxide growth mechanisms and to rationalize various growth laws that have been found experimentally. Results will be compared to experimental cyclic voltammetry data to extract rates of kinetic and transport processes. In an ensuing step, platinum dissolution kinetics will be incorporated and linked dynamically to oxide growth and reduction. It is thus expected that the model will be able to explain the dramatically enhanced rate of Pt dissolution that was found in recent experimental studies, when the electrode voltage was cycled through the high voltage regime [6,7,8]. The detailed mechanistic understanding of oxide growth and reduction on platinum will thus complete our theory of platinum dissolution in catalyst layers for polymer electrolyte fuel cells [9]. References [1] A. Seyeux, V. Maurice, and P. Marcus, J. Electrochem. Soc. 160, C189 (2013). [2] S. G. Rinaldo, W. Lee, J. Stumper, and M. Eikerling, Electrocatalysis 5, 262 (2014). [3] A.M. Gómez-Marín, J. Clavilier, J.M. Feliu, J. Electroanal. Chem. 688, 360 (2013) [4] M. Wakisaka, H. Suzuki, S. Mitsui, H. Uchida, M. Watanabe, Langmuir 25, 1897 (2009) [5] L. Wang, A. Roudgar, M. Eikerling, J. Phys. Chem. C 113, 17989 (2009) [6] S. G. Rinaldo, P. Urchaga, J. Hu, W. Lee, J. Stumper, C. Rice, and M. Eikerling, Phys. Chem. Chem. Phys., in press. [7] A. A. Topalov, S. Cherevko, A. R. Zeradjanin, J. C. Meier, I. Katsounaros, and K. J. J. Mayrhofer, Chemical Science 5, 631 (2014). [8] L. Xing, M. A. Hossain, M. Tian, D. Beauchemin, K. T. Adjemian, and G. Jerkiewicz, Electrocatalysis 5, 96 (2014). [9] S. G. Rinaldo, W. Lee, J. Stumper, and M. Eikerling, Physical Review E 86, 041601 (2012).

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.001
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Simulation or modeling · Consensus signal: Simulation or modeling
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.012
Threshold uncertainty score0.024

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0010.001
Science and technology studies0.0010.001
Scholarly communication0.0010.001
Open science0.0020.001
Research integrity0.0030.001
Insufficient payload (model declined to judge)0.0030.001

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.039
GPT teacher head0.271
Teacher spread0.232 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designSimulation or modeling
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

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Citations0
Published2015
Admission routes1
Has abstractyes

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