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Record W358909442 · doi:10.1038/srep35605

Spectromicroscopy of C60 and azafullerene C59N: Identifying surface adsorbed water

2016· article· en· W358909442 on OpenAlex
Doğan Erbahar, Toma Susi, Xavier Rocquefelte, Carla Bittencourt, Mattia Scardamaglia, Peter Blaha, Peter Guttmann, Georgios Rotas, Nikos Tagmatarchis, Xiaohui Zhu, Adam P. Hitchcock, Chris Ewels

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueScientific Reports · 2016
Typearticle
Languageen
FieldChemistry
TopicFullerene Chemistry and Applications
Canadian institutionsMcMaster University
FundersNational Research Council CanadaCanadian Institutes of Health ResearchHelmholtz-Zentrum Berlin für Materialien und EnergieTürkiye Bilimsel ve Teknolojik Araştırma KurumuAustrian Science FundOffice of ScienceWestern Economic Diversification CanadaGeneral Secretariat for Research and TechnologyU.S. Department of EnergyEuropean CommissionUniversity of SaskatchewanNatural Sciences and Engineering Research Council of CanadaCanadian Light SourceFonds De La Recherche Scientifique - FNRS
KeywordsX-ray photoelectron spectroscopyAdsorptionXANESDensity functional theorySpectroscopyOxygenFullereneChemistryMaterials scienceCrystallographyPhysical chemistryComputational chemistryNuclear magnetic resonancePhysicsOrganic chemistry

Abstract

fetched live from OpenAlex

Abstract C 60 fullerene crystals may serve as important catalysts for interstellar organic chemistry. To explore this possibility, the electronic structures of free-standing powders of C 60 and (C 59 N) 2 azafullerenes are characterized using X-ray microscopy with near-edge X-ray adsorption fine structure (NEXAFS) spectroscopy, closely coupled with density functional theory (DFT) calculations. This is supported with X-ray photoelectron spectroscopy (XPS) measurements and associated core-level shift DFT calculations. We compare the oxygen 1 s spectra from oxygen impurities in C 60 and C 59 N, and calculate a range of possible oxidized and hydroxylated structures and associated formation barriers. These results allow us to propose a model for the oxygen present in these samples, notably the importance of water surface adsorption and possible ice formation. Water adsorption on C 60 crystal surfaces may prove important for astrobiological studies of interstellar amino acid formation.

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.

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 categoriesInsufficient payload (model declined to judge)
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 score0.020
Threshold uncertainty score0.998

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)0.0030.000

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 head0.014
GPT teacher head0.245
Teacher spread0.231 · 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