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Record W4417158402 · doi:10.1021/acscatal.5c04431

Exposure of Active Metal Sites on Cu <sub>14</sub> Nanoclusters for Highly Selective Electrocatalytic Nitrate Reduction

2025· article· en· W4417158402 on OpenAlexafffund
Shiho Tomihari, Maho Kamiyama, Harpriya Minhas, Tokuhisa Kawawaki, Kana Takemae, Yamato Shingyouchi, Ziyi Chen, Biswarup Pathak, Yuichi Negishi

Bibliographic record

VenueACS Catalysis · 2025
Typearticle
Languageen
FieldChemical Engineering
TopicAmmonia Synthesis and Nitrogen Reduction
Canadian institutionsDalhousie University
FundersJapan Society for the Promotion of ScienceJKA FoundationEnvironmental Restoration and Conservation AgencyIchimura Foundation of New TechnologyIwatani Naoji FoundationDalhousie UniversityIndian Institute of Technology Indore
KeywordsNanoclustersCatalysisMetalActive siteSelectivityAmmonia productionElectrochemistry

Abstract

fetched live from OpenAlex

High Resolution Image Download MS PowerPoint Slide Atomically precise metal nanoclusters (NCs) have been extensively used as catalysts for various reactions owing to the ultimate controllability of their parameters, such as number of constituent atoms, crystal structure, and alloying characteristics. However, for many metal NCs, their surfaces are entirely covered by ligands, preventing the exposure of surface metal atoms that serve as active sites and thus hindering their catalytic functionality. Herein, we report that the exposure of metal sites in Cu 14 NC can be achieved by a facile modification of the thiolate ligands. Consequently, we found that Cu 14 NC with an exposed Cu site exhibits significantly higher ammonia selectivity and production rate in electrochemical nitrate reduction. These findings underscore the importance of atomically precise control for metal NCs, not only of their overall geometric structures but also of their reactive sites, for achieving highly selective and active catalysts, contributing to the future design of diverse metal NC catalysts.

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 categoriesMeta-epidemiology (narrow)
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 score0.009
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
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 head0.008
GPT teacher head0.223
Teacher spread0.215 · 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.

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

Citations12
Published2025
Admission routes2
Has abstractyes

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