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Record W4407193008 · doi:10.1093/nsr/nwaf031

Single cobalt atoms with unconventional dynamic coordination mechanism for selective ammonia sensor

2025· article· en· W4407193008 on OpenAlex
Yuejiao Li, Yaguang Li, Yushu Shi, Jianmei Gao, Jianmin Lü, Chao Wang, Junyu Chang, Zhenming Wang, Bing Yang, Liang Feng, Qiang Fu, Xinhe Bao, Zhong‐Shuai Wu

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.

Bibliographic record

VenueNational Science Review · 2025
Typearticle
Languageen
FieldEngineering
TopicGas Sensing Nanomaterials and Sensors
Canadian institutionsCarbon Engineering (Canada)
FundersNational Key Research and Development Program of ChinaDalian Institute of Chemical PhysicsState Key Laboratory of CatalysisHebei UniversitySalt Science Research FoundationChinese Academy of SciencesNational Natural Science Foundation of ChinaNatural Science Foundation of Hebei Province
KeywordsAmmoniaCobaltMechanism (biology)Coordination complexMaterials scienceChemistryInorganic chemistryPhysicsMetallurgyOrganic chemistryMetalQuantum mechanics

Abstract

fetched live from OpenAlex

ABSTRACT Developing gas sensors that can simultaneously achieve high sensitivity and selectivity for the detection of a single-type gas remains a significant challenge. Herein we demonstrate cobalt (Co) single atoms with an unconventional dynamically changing coordination structure that could be used as NH3-sensing material with superior sensitivity and selectivity. According to the steric effect of 2-methylimidazole (2MI) molecules and carbonyl groups on graphene, the Co single atom is evolved into a bidentate coordinated structure (Co-2MI-G). In-situ characterization and theoretical simulation reveal that the sensing mechanism of Co-2MI-G is the specific chemical adsorption between unsaturated coordinated Co single atoms and NH3 molecules, causing a reversible switching of coordination number from 2 to 4, a valence state transfer from Co2+ to Co3+ of Co single atoms, and a band-gap width from 0.14 eV to 0.50 eV. Consequently, the Co-2MI-G-based gas sensor presents a sensing response of 67.598% for 1 ppm NH3 and a limit of detection of 2.67 ppb, at least 1.8 times higher than that of state-of-the-art NH3 sensors, together with robust stability and reproducibility. This work provides an innovative perspective on utilizing single atoms for ultra-selective gas sensing by coordination regulation.

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)0.001
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: Theoretical or conceptual · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.489
Threshold uncertainty score0.368

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
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 head0.011
GPT teacher head0.268
Teacher spread0.257 · 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