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Record W4220960780 · doi:10.1002/adma.202110123

A Sulfur‐Tolerant MOF‐Based Single‐Atom Fe Catalyst for Efficient Oxidation of NO and Hg<sup>0</sup>

2022· article· en· W4220960780 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

VenueAdvanced Materials · 2022
Typearticle
Languageen
FieldMaterials Science
TopicCatalytic Processes in Materials Science
Canadian institutionsUniversity of Calgary
FundersFundamental Research Funds for the Central UniversitiesNational Natural Science Foundation of China
KeywordsCatalysisOxidizing agentSulfurAdsorptionSelectivityMaterials scienceAtom (system on chip)Inorganic chemistryDensity functional theoryPhotochemistryChemical engineeringChemistryPhysical chemistryOrganic chemistryComputational chemistryMetallurgy

Abstract

fetched live from OpenAlex

Abstract Catalytic oxidation of NO and Hg 0 is a crucial step to eliminate multiple pollutants from emissions from coal‐fired power plants. However, traditional catalysts exhibit low catalytic activity and poor sulfur resistance due to low activation ability and poor adsorption selectivity. Herein, a single‐atom Fe decorated N‐doped carbon catalyst (Fe 1 ‐N 4 ‐C), with abundant Fe 1 ‐N 4 sites, based on a Fe‐doped metal–organic framework is developed to oxidize NO and Hg 0 . The results demonstrate that the Fe 1 ‐N 4 ‐C has ultrahigh catalytic activity for oxidizing NO and Hg 0 at low and room temperature. More importantly, Fe 1 ‐N 4 ‐C exhibits robust sulfur resistance as it preferably adsorbs reactants over sulfur oxides, which has never been achieved before with traditional catalysts. Furthermore, SO 2 boosts the catalytic oxidation of NO over Fe 1 ‐N 4 ‐C through accelerating the circulation of active sites. Density functional theory calculations reveal that the Fe 1 ‐N 4 active sites result in a low energy barrier and high adsorption selectivity, providing detailed molecular‐level understanding for its excellent catalytic performance. This is the first report on NO and Hg 0 oxidation over single‐atom catalysts with strong sulfur tolerance. The outcomes demonstrate that single‐atom catalysts are promising candidates for catalytic oxidation of NO and Hg 0 enabling cleaner coal‐fired power plant operations.

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)0.002
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 score0.016
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0020.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

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 head0.013
GPT teacher head0.253
Teacher spread0.240 · 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