Photoinduced charge-transfer reaction at surfaces. II. HBr⋯Nan/LiF(001)+hv(610 nm)→Br−Nan+/LiF(001)+H(g)
Bibliographic record
Abstract
A sub-monolayer of atomic sodium was deposited on LiF(001) at 40–90 K. The adsorbed sodium atoms and clusters were dosed with HBr, to form HBr⋯Nan/LiF(001) (n=1,2,…) complexes which were then irradiated by 610 nm laser-light to induce charge-transfer reactions. The reaction-product atomic H(g) was observed leaving the surface, by two-color Rydberg-atom TOF spectroscopy. The H-atom translational energy in its “fast” (0.9 eV) component exhibited structure (40±10 meV spacing) attributed to vibration of the NaBr residue at the surface following photoinduced reaction in Na…HBr. The cross-section of the harpooning event was obtained as 7.5×10−19 cm2 for the “fast” H-atom reaction-product. Investigation of the coverage and temperature dependencies of the H-atom signal and of temperature programmed desorption (TPD) and x-ray photoelectron spectra gave an activation barrier for surface diffusion of Na-atoms Ediff<170 meV. High-level ab initio calculations were employed to interpret the TOF and TPD spectra. The reaction precursors and products, Na-HBr, Na+-HBr, Na2-HBr, Na2Br, NaBr, and NaBr-HBr, were investigated in terms of potential energy surfaces, equilibrium structures, binding energies, and vibrational frequencies.
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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".