Elucidation and modulation of active sites in holey graphene electrocatalysts for <scp>H<sub>2</sub>O<sub>2</sub></scp> production
Bibliographic record
Abstract
Abstract Selective electrochemical oxygen reduction (ORR) toward a two‐electron (2e − ) pathway is an eco‐friendly alternative method for H 2 O 2 synthesis to replace the energy‐intensive anthraquinone oxidation process. Carbon‐based electrocatalysts (CBEs) show great potential for practical H 2 O 2 synthesis. However, their complex structures make it challenging to determine the nature of active sites and to precisely control them. Herein, we show that precise modulation of the chemistry and structures of holey graphene with edge sites enriched by oxygen‐containing functional groups can facilitate 2e − ORR. These combined functionalities could improve ORR performance under various pH conditions, for example, resulting in an average of 95% H 2 O 2 selectivity, ~97% Faraday efficiency, high productivity of 2360 mol kg cat −1 h −1 in alkaline media. Density functional theory calculations on the oxygen functional groups at the edge sites revealed the most active site for 2e − ORR is a synergy between ether (COC) and carbonyl (CO) functional groups with nearly zero overpotential. image
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot 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.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.001 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.001 | 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)
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.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one teacher head, not a consensus.
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".