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Record W4400948274 · doi:10.1038/s42004-024-01245-9

Structure and chemical bonding in high-pressure potassium silver alloys

2024· article· en· W4400948274 on OpenAlex
Nnanna Ukoji, D.S. Rodríguez, Huiyao Kuang, Serge Desgreniers, John S. Tse

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

VenueCommunications Chemistry · 2024
Typearticle
Languageen
FieldEngineering
TopicAdvanced materials and composites
Canadian institutionsUniversity of OttawaUniversity of Saskatchewan
FundersNatural Sciences and Engineering Research Council of CanadaCanadian Institutes of Health ResearchCanadian Light Source
KeywordsPotassiumMaterials scienceMetallurgyChemical bondChemical engineeringChemistryOrganic chemistryEngineering

Abstract

fetched live from OpenAlex

Abstract The high-pressure structures of K-Ag alloys were examples of pressure-induced electron transfer from the electropositive potassium to the electronegative silver. We re-examined the crystal and electronic structures of KAg 2 , K 2 Ag, and K 3 Ag using powder X-ray diffraction and theoretical calculations. Our findings establish a connection between the morphologies of these three phases and the precursor face-centered cubic Ag. For K 2 Ag, we discovered a disordered structure that better matches the X-ray pattern. Valence electron density distributions obtained from the maximum entropy method, along with charge density calculations, provide a comprehensive understanding of the evolution of chemical bonding in these systems. It was found that K atoms share their valence electrons during alloy formation, contributing to K-Ag and Ag-Ag bonds in K 2 Ag and KAg 2 , while no Ag-Ag bonds are present in K 3 Ag. These results indicate the Zintl-Klemm model may be too simplistic to describe the structure and bonding in high-pressure binary intermetallic compounds.

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 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 score0.056
Threshold uncertainty score0.388

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 head0.006
GPT teacher head0.223
Teacher spread0.217 · 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