Tailoring the Coordination Environment of Single‐Atom Catalysts for Enhanced Electrochemical CO <sub>2</sub> ‐to‐CO Conversion Efficiency
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Bibliographic record
Abstract
ABSTRACT Exploring the influence of the coordination environment of single‐atom catalysts (SACs) on the electrochemical CO 2 reduction reaction is vital for assessing the reaction mechanism and structure‐performance relationship. However, it is challenging to engineer the coordination configuration of isolated active metal atoms precisely. Herein, we strategically manipulate the coordination number of the Co–N x configuration by simply changing the order of adding the metal precursor toward improved CO 2 electrolysis performance. Compared with the symmetric Co–N 4 coordination, the asymmetric Co–N 3 coordination leads to reinforced Co–N interaction and downshifted 3d orbital energy toward the Fermi level of the active Co sites, promoting the activation of CO 2 molecules and the formation of critical intermediate *COOH. The as‐designed Co–N 3 SAC displays excellent Faradaic efficiency (FE) of 98.4% for CO 2 ‐to‐CO conversion at a low potential of −0.80 V, together with decent FE over a wide potential range (−0.50 V to −1.10 V) and high durability. This study presents an ideal platform to manipulate the coordination number of atomically dispersed metal catalysts and provides a fundamental understanding of coordination configuration‐performance correlation for CO 2 electroreduction.
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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 | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| 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 it