Modeling Hydrogen Sulfide Adsorption on Mo-Edge MoS<sub>2</sub> Surfaces under Solid Oxide Fuel Cell Conditions
Bibliographic record
Abstract
We examine the degree to which sulfur-based fuel contaminants, such as hydrogen sulfide (H 2 S), can adsorb on the molybdenum sulfide-based anode of a solid oxide fuel cell (SOFC) under normal SOFC conditions. Our examination takes into account multiple adsorption/desorption events involving H 2 S and the fuel (H 2 ). By means of a kinetic model that allows us to approximate the rate of adsorbed oxygen formation based on experimental O 2− anion consumption at the triple-phase-boundary (TPB), we also consider the reaction mechanisms associated with the formation and desorption of H 2 O(g), SO 2 (g), and S 2 (g). Preferred adsorption sites, energies, transition states, and kinetic barriers are calculated for the resulting species, *SH x, *OH x, *SO x, and *S 2 ( x = 0−2). We have concluded that at typical SOFC operating conditions, the level of adsorbed sulfur on the MoS 2 anode surface will not exceed 25% (one S surface atom for every one Mo surface atom).
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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 | 0.001 | 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".