Improving Electrocatalytic Oxygen Evolution through Local Field Distortion in Mg/Fe Dual‐site Catalysts
Why is this work in the frame?
A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.
Full frame distilled prediction
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.
- Candidate categories
- Meta-epidemiology (narrow)
- Consensus categories
- none
- Domain
- Candidate signal: noneConsensus signal: none
- Study design
- Candidate signal: Bench or experimentalConsensus signal: Bench or experimental
- Genre
- Candidate signal: EmpiricalConsensus signal: Empirical
- Teacher disagreement score
- 0.076
- Threshold uncertainty score
- 1.000
- Validation status
machine_predicted_unvalidated·codex-gemma-dda1882f352a
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 0.000 |
Machine scores (provisional)
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
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.
- Teacher spread
- 0.227 · how far apart the two teachers sit on this one work
- Validation status
score_only:v0-immature-baseline· verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it
Abstract
Abstract Transition metal single atom electrocatalysts (SACs) with metal‐nitrogen‐carbon (M−N−C) configuration show great potential in oxygen evolution reaction (OER), whereby the spin‐dependent electrons must be allowed to transfer along reactants (OH − /H 2 O, singlet spin state) and products (O 2 , triplet spin state). Therefore, it is imperative to modulate the spin configuration in M−N−C to enhance the spin‐sensitive OER energetics, which however remains a significant challenge. Herein, we report a local field distortion induced intermediate to low spin transition by introducing a main‐group element (Mg) into the Fe−N−C architecture, and decode the underlying origin of the enhanced OER activity. We unveil that, the large ionic radii mismatch between Mg 2+ and Fe 2+ can cause a FeN 4 in‐plane square local field deformation, which triggers a favorable spin transition of Fe 2+ from intermediate (d xy 2 d xz 2 d yz 1 d z2 1 , 2.96 μ B ) to low spin (d xy 2 d xz 2 d yz 2 , 0.95 μ B ), and consequently regulate the thermodyna‐mics of the elementary step with desired Gibbs free energies. The as‐obtained Mg/Fe dual‐site catalyst demonstrates a superior OER activity with an overpotential of 224 mV at 10 mA cm −2 and an electrolysis voltage of only 1.542 V at 10 mA cm −2 in the overall water splitting, which outperforms those of the state‐of‐the‐art transition metal SACs.
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.
The record
- Venue
- Angewandte Chemie International Edition
- Topic
- Electrocatalysts for Energy Conversion
- Field
- Energy
- Canadian institutions
- Canadian Light Source (Canada)University of Saskatchewan
- Funders
- National Natural Science Foundation of China
- Keywords
- Oxygen evolutionSpin statesOverpotentialIonic bondingChemistryTransition metalSpin transitionCatalysisSinglet stateSpin crossoverChemical physicsCrystallographyMaterials scienceAtomic physicsIonInorganic chemistryPhysical chemistryPhysicsExcited stateElectrodeElectrochemistry
- Has abstract in OpenAlex
- yes