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Record W2314543357 · doi:10.1021/jp203734d

Improving Platinum Catalyst Durability with a Doped Graphene Support

2012· article· en· W2314543357 on OpenAlexafffund
Michael N. Groves, Cecile Malardier‐Jugroot, Manish Jugroot

Bibliographic record

VenueThe Journal of Physical Chemistry C · 2012
Typearticle
Languageen
FieldEnergy
TopicElectrocatalysts for Energy Conversion
Canadian institutionsRoyal Military College of Canada
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsGrapheneMaterials scienceDopantPlatinumDensity functional theoryBerylliumCatalysisBoronInorganic chemistryBinding energyChemical physicsDopingNanotechnologyComputational chemistryChemistryAtomic physicsOrganic chemistry

Abstract

fetched live from OpenAlex

Improving the durability of a platinum catalyst is an important step in increasing its utility when incorporated as the anode or cathode of a proton-exchange membrane fuel cell. Using density functional theory, the binding energy between a platinum atom and five graphene surfaces, one pure, and four others singly doped with beryllium, boron, nitrogen, and oxygen, was calculated. The oxygen-doped surface showed the highest binding energy and was calculated to be 7 times higher than the undoped surface. Each dopant modified the surface bonding arrangement within the graphene lattice, which then affected how the surface bonded to the platinum atom. Using molecular orbitals, natural bond orbitals, and the gradient of the electron density, these interactions were explored to explain the strength of the Pt–surface bond, which, in ascending order by dopant, was found to be undoped, nitrogen, boron, beryllium, and oxygen.

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 distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.002
Threshold uncertainty score0.443

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

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 head0.006
GPT teacher head0.212
Teacher spread0.205 · 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 teacher head, not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
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".

Quick stats

Citations118
Published2012
Admission routes2
Has abstractyes

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