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Record W3189227143 · doi:10.1021/acs.jpcc.1c03976

Role of the Structure and Reactivity of Cu and Ag Surfaces in the Formation of a 2D Metal–Hexahydroxytriphenylene Network

2021· article· en· W3189227143 on OpenAlexafffund
Alain Rochefort, Loranne Vernisse, Ana Cristina Gómez-Herrero, Carlos Sánchez‐Sánchez, José Á. Martín‐Gago, Frédéric Chérioux, Sylvain Clair, Johann Coraux, José I. Martínez

Bibliographic record

VenueThe Journal of Physical Chemistry C · 2021
Typearticle
Languageen
FieldEngineering
TopicSurface Chemistry and Catalysis
Canadian institutionsPolytechnique Montréal
FundersNatural Sciences and Engineering Research Council of CanadaHorizon 2020 Framework ProgrammeMinisterio de Ciencia e InnovaciónCentre National de la Recherche ScientifiqueConsejo Superior de Investigaciones CientíficasMinisterio de Economía y CompetitividadAgence Nationale de la RechercheComunidad de Madrid
KeywordsScanning tunneling microscopeMetalCrystallographyReactivity (psychology)Density functional theoryMoleculeCopperChemistryAdsorptionSurface (topology)Chemical physicsMaterials scienceNanotechnologyComputational chemistryPhysical chemistryGeometry

Abstract

fetched live from OpenAlex

High Resolution Image Download MS PowerPoint Slide We have investigated the role played by the atomic structure and reactivity of the supporting Ag(111) and Cu(111) surfaces on the formation of 2D metal–organic networks (2D-MONs) involving metal adatom clusters spawned by these two surfaces. While the hexahydroxytriphenylene (HHTP) molecule forms complexes with Ag 3 and Cu 3 adatom clusters on, respectively, the Ag(111) and Cu(111) surfaces, an extended order is only observed in the 2D-MON on Ag(111). By combining scanning tunneling microscopy measurements, density functional theory calculations, and microscopy image simulations, we show that the formation of Ag–HHTP metal–organic complexes is structurally compatible with a periodic arrangement of HHTP on the Ag(111) surface. In contrast, on Cu(111), tightly bonded and localized Cu–HHTP motifs are stabilized by the interaction of Cu adclusters with HHTP. However, they cannot match the surface structure of Cu(111) to form an extended 2D-MON. We observed that the formation of large 2D-MON domains on a metallic surface is only possible when the periodicity of the adsorbed surface assembly is weakly perturbed by the addition of metal adclusters that reinforced the bonding.

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)0.000
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 score0.018
Threshold uncertainty score0.175

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
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 head0.004
GPT teacher head0.187
Teacher spread0.183 · 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

Citations19
Published2021
Admission routes2
Has abstractyes

Explore more

Same venueThe Journal of Physical Chemistry CSame topicSurface Chemistry and CatalysisFrench-language works237,207