Stability of cubic tin sulphide nanocrystals: role of ammonium chloride surfactant headgroups
Why this work is in the frame
A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.
Bibliographic record
Abstract
New semiconducting metastable cubic phases have been recently discovered in the tin monosulfide and monoselenide systems. Surface energy calculations and experimental studies indicate that this cubic π-phase is stabilized by specific ligand adsorption on the surface. In this work, it is shown experimentally that the synthesis carried out using mixtures of oleylamine and oleylammonium chloride (OACl) surfactants results in the cubic phase, transforming the growth from orthorhombic to cubic nanoparticles with increasing OACl concentration up to a limiting point. Complementary ab initio calculations find that adsorbed ligands lower the surface energies for both the cubic phase and the orthorhombic phase, relative to the pristine surfaces. The decrease in the surface energy increases with ligand coverage. Stronger binding energies to the cubic phase suggest a higher coverage, and therefore preferential stabilization of this phase. Upon further increasing the coverage, the surface energy becomes negative, effectively destabilizing the particles in agreement with experimental observations. Bonding analysis shows that Cl bonds to Sn and replaces missing Sn-S bonds at the surface of the cubic structure. In the competing orthorhombic layered phase, Cl also bonds to a Sn atom but at the expense of one of the Sn-S bonds of this Sn atom. This observation can explain the trends of the surface energies. This combined experimental and computational analysis sheds light on the stabilization processes of these nano-materials and indicates the path to improve synthetic routes.
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
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) | 0.001 | 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 it