Effects of metal substitution in transition-metal phosphides (Ni1−xM′x)2P (M′ = Cr, Fe, Co) studied by X-ray photoelectron and absorption spectroscopy
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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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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) | 0.001 | 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