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Record W4391996107 · doi:10.1021/acs.macromol.3c01634

Regulating the Tautomerization in Covalent Organic Frameworks for Efficient Sacrificial Agent-Free Photocatalytic H<sub>2</sub>O<sub>2</sub> Production

2024· article· en· W4391996107 on OpenAlex

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

VenueMacromolecules · 2024
Typearticle
Languageen
FieldMaterials Science
TopicCovalent Organic Framework Applications
Canadian institutionsUniversity of Waterloo
FundersScience and Technology Program of Hunan ProvinceNatural Science Foundation of Hunan ProvinceNational Natural Science Foundation of China
KeywordsTautomerPhotocatalysisChemistryCovalent bondImineReagentAdsorptionEnolPhotochemistryEnamineCombinatorial chemistryCatalysisOrganic chemistry

Abstract

fetched live from OpenAlex

The efficiency of photocatalytic production of H 2 O 2 is constrained by the low selectivity toward oxygen reduction, and the active sites are still under debate. Herein, analogous covalent organic framework photocatalysts were synthesized from triformylphloroglucinol (Tp) and predesigned diamines, in which a molecular engineering strategy was employed to manipulate the energy barrier for the targeted proton transfers. The tautomerization of enol-imine to keto-enamine introduced abundant alkene bonds (C═C), which serve as the primary adsorption sites and have a lower energy barrier for the reduction of the O 2 reduction. DHAA-Tp COF displayed a remarkable photocatalytic H 2 O 2 production rate of 219.5 μmol h –1 g –1 without any sacrificial reagent, which stands out among the structure-related materials. A switch from a concerted one-step 2e – to a two-step single e – process in O 2 reduction was observed in TCNAQ-Tp COF, which is presumably ascribed to the suppressed tautomerization mediated by the strong electron-withdrawing cyano groups. The results demonstrate a novel concept for the photocatalytic production of H 2 O 2 using an efficient, stable, and recyclable metal-free photocatalytic system.

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)0.001
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 score0.098
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.002
Science and technology studies0.0000.000
Scholarly communication0.0010.000
Open science0.0010.000
Research integrity0.0000.001
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 head0.244
Teacher spread0.234 · 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