Pt 5d Density of States in Pt<sub>3</sub>Mg–N–C Catalyst Governed by Ligand Effect
Bibliographic record
Abstract
In alloy systems, the strain and ligand effects are prevalent, but it is challenging to study the impact of either on the material structure independently. We conducted high-energy-resolution fluorescence detection (HERFD) X-ray absorption spectroscopy (XAS) and resonant X-ray emission spectroscopy (XES)/resonant inelastic X-ray scattering (RIXS) spectroscopy on a Pt 3 Mg alloy-based carbon material (Pt 3 Mg–N–C). By introducing a size-comparable atom, the strain effect is minimized, allowing the Pt d-density of states (d-DOS) to be primarily affected by the ligand effect. The experimental results reveal that Pt gains electrons in Pt 3 Mg–N–C, exhibiting a more symmetric d-band shape and a downshift of the d-band center compared to Pt metal, which is further confirmed by density functional theory (DFT) calculations. The correlation between the Pt d-DOS and oxygen reduction reaction (ORR) activity is also discussed.
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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) | 0.002 | 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".