Effects of metal substitution in transition-metal phosphides (Ni1−xM′x)2P (M′ = Cr, Fe, Co) studied by X-ray photoelectron and absorption spectroscopy
Bibliographic record
Abstract
Mixed-metal variants (Ni1−xM′x)2P (M′ = Cr, Fe, Co; 0 ≤ x ≤ 1) of the binary phosphide Ni2P, a well-known hydrodesulfurization and hydrodenitrogenation catalyst, have been examined by X-ray photoelectron (XPS) and absorption (XANES) spectroscopy. The P 2p3/2 binding energies and K-edge absorption energies in (Ni1−xCrx)2P, (Ni1−xFex)2P, and (Ni1−xCox)2P are lower than in Ni2P, with the shifts becoming more pronounced with greater difference in electronegativity between P and Ni/M′. These shifts are influenced primarily by intraatomic effects. However, secondary interatomic effects are also implicated in the Ni 2p3/2XPS spectra, which show enhanced satellite intensities, and in the Ni K- and L-edge absorption spectra, indicating a charge transfer from M′ to the more electronegative Ni atoms. This phenomenon was confirmed in the metal L-edge XANES spectra, which revealed lower Ni and higher M′ L-edge absorption energy as the degree of charge transfer increases. The Ni K-edge XANES spectra also show a pre-edge feature whose intensity decreases from Ni2P to (Ni0.8Cr0.2)2P, supporting the occurrence of charge transfer from Cr to Ni.
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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".