Oxygen adsorption and diffusion on an Al(111) surface and subsurface: a theoretical study
Bibliographic record
Abstract
The generalized gradient approximation of the density functional theory was used to investigate the adsorption and dissociation of the O2 molecule on an Al(111) surface and the subsequent diffusion of an oxygen atom into the subsurface with different oxygen coverages. The total adsorption energies of oxygen atoms on the Al(111) surface increase as the number of adsorbed oxygen atoms increases, while the adsorption heats per oxygen atom decrease firstly and then increase. The adsorption heats for O2 physisorption on the Al(111) surface would increase as the oxidization degree of Al(111) surface increased. As the oxidization degree of Al(111) surface increases, the adsorption heats for O2 chemisorption decrease firstly and then increase, and the O2 molecule would not dissociate when the oxidization degree was up to 1.0 monolayer. In general, the energy barriers for both the interlayer and intralayer diffusions of the oxygen atom on the Al(111) surface would become larger as the number of initial adsorbed oxygen atoms on the Al(111) surface increased due to an increasing repulsion force.
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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 | 0.001 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.001 | 0.000 |
| Science and technology studies | 0.000 | 0.001 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 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".