Unveiling the potential of 3D TH-graphyne: a porous carbon anode for efficient potassium-ion storage
Why this work is in the frame
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Bibliographic record
Abstract
Abstract Due to the abundance and low cost of potassium resources, potassium-ion batteries have emerged as promising alternatives to Li-ion batteries, with high capacity and fast ion transport. This study presents a novel three-dimensional triangular-hexagonal graphyne-like (3D TH-GY) carbon allotrope engineered by incorporating acetylenic linkers. Ab initio calculations confirm that the semi-metallic 3D TH-GY is thermally and dynamically stable, having a small bandgap of 0.04 eV. The electrochemical potential of 3D TH-GY, along with a recently proposed two-dimensional porous carbon allotrope (TH-GY), is assessed as an anode material for KIBs via DFT calculations. The study reveals strong K-ion binding, with values of –0.97 eV for 2D TH-GY and –1.53 eV for 3D TH-GY, respectively, facilitating efficient ion intercalation while ensuring favorable desorption kinetics. The calculated diffusion barriers for K-ion migration are exceptionally low (0.036 eV for 2D TH-GY, 0.12 eV for 3D TH-GY), indicating rapid ion transport across the surface. Moreover, the theoretical capacities of 2D TH-GY and 3D TH-GY reach 929.83 and 495.91 mAh g −1 , respectively, positioning them as promising candidates for high-performance charge–discharge cycles in KIBs. The combination of high charge storage capacity, fast ion diffusion, and structural robustness highlights TH-GY-based materials as compelling alternatives for next-generation potassium-ion battery anodes.
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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) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 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