Band Engineering Induced Conducting 2H‐Phase MoS<sub>2</sub> by PdSRe Sites Modification for Hydrogen Evolution Reaction
Bibliographic record
Abstract
Abstract The electronic band structure of MoS 2 exerts far‐ranging effects on the applications of these materials, ranging from chemical catalysis, electronic, and magnetic behaviors. However, the underlying relationship between the electronic band structure and activity is largely unknown in heterogeneous catalysis including the hydrogen evolution reaction, partly due to the lack of a controllable methodology to achieve desirable electronic band structures in the 2H‐phase MoS 2 . Herein it is demonstrated that dual dopants can engineer the band structure of MoS 2 by substituting into the adjacent Mo sites. Specifically, these constructed PdRe dimers bridged by sulfur (PdSRe sites) introduce conducting electronic states around the Fermi level to increase the metallic characteristics of MoS 2 , resulting in metallic‐like behavior, which is initially semiconducting. Furthermore, the efficacy of inducing a phase conversion from 2H to metallic 1T is higher for codoping with dual dopants as compared to that for the use of a single dopant, thereby generating more intrinsically active PdS*Mo sites to further increase active sites density. Ultimately, this leads to the MoS 2 catalyst showing a low overpotential of 46 mV at a current density of 10 mA cm −2 and a high exchange current density of 1.524 mA cm −2 , along with superior operating durability.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| 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) | 0.001 | 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 source (direct Gemma or distilled Codex), 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".