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Record W4404545057 · doi:10.1021/acs.jpcc.4c05269

Schematic Structural Analysis of Honeycomb Structure Ultrathin Ce–Ti–O Films on Pt(111) Using Photoelectron Holography and Ab Initio Calculation

2024· article· en· W4404545057 on OpenAlexfundno aff
Xu Li, Shougo Yamada, Yuya Yamada, Momoko Yoshida, Y Hashimoto, T. Matsushita, Weiliang Ma, Émilie Gaudry, Junji Yuhara

Bibliographic record

VenueThe Journal of Physical Chemistry C · 2024
Typearticle
Languageen
FieldPhysics and Astronomy
TopicAdvanced Chemical Physics Studies
Canadian institutionsnot available
FundersJapan Society for the Promotion of ScienceDavid Suzuki FoundationSupport for Pioneering Research Initiated by the Next Generation
KeywordsX-ray photoelectron spectroscopySuperstructureMaterials scienceScanning tunneling microscopeAb initioDensity functional theoryHoneycombDiffractionElectron diffractionCrystallographyAnalytical Chemistry (journal)Molecular physicsChemistryComputational chemistryNanotechnologyOpticsNuclear magnetic resonancePhysicsComposite material

Abstract

fetched live from OpenAlex

(√3 × √3)R30 honeycomb superstructure ultrathin Ce–Ti–O film was prepared and confirmed using scanning tunneling microscopy (STM) and low-energy electron diffraction. The structural model of (√3 × √3)R30 honeycomb superstructure ultrathin film is determined using ab initio calculation and photoelectron holography. In the density functional theory (DFT) calculations, the (√3 × √3)R30 honeycomb superstructural model was calculated in two different conditions. The photoelectron holograms of Ti 2+ and Ti 3+ were separated from Ti 2p photoelectron spectra of (√3 × √3)R30 honeycomb superstructure, using a display-type retarding field analyzer. From the different forward-focusing peaks on the photoelectron holograms of Ti 2+ and Ti 3+, the vertical height between Ti divalent atoms and O atoms is higher than that between Ti trivalent atoms and O atoms. Also, the distance and direction of O and Ce atoms above Ti could be found. As a result, the simulated photoelectron holograms and the simulated STM image of the calculated Ce–Ti–O honeycomb superstructural model agree with the experimental photoelectron holograms and the experimental STM images.

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)0.000
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: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.004
Threshold uncertainty score0.013

Distilled classifier scores by category (both heads)

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)0.0040.000

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 head0.009
GPT teacher head0.276
Teacher spread0.267 · 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".

Quick stats

Citations3
Published2024
Admission routes1
Has abstractyes

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Same venueThe Journal of Physical Chemistry CSame topicAdvanced Chemical Physics StudiesFrench-language works237,207