Site-Specific and Size-Dependent Bonding of Compositionally Precise Gold−Thiolate Nanoparticles from X-ray Spectroscopy
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Bibliographic record
Abstract
Understanding the site-specific and size-dependent structure and bonding properties of gold−thiolate nanoparticles is one of the most fundamental questions in nanoscience. The recent synthesis of compositionally precise Au m (SR) n nanoparticles offers a promising opportunity to explicitly elucidate the structure−property correlation of nanomaterials from site-specific and size-dependent perspectives. Herein, we report an X-ray absorption (gold L 3 -, sulfur K-, and L 3,2 -edge) and photoemission (gold 4f, sulfur 2p, and valence band) study of compositionally precise Au m (SR) n nanoparticles. An X-ray spectroscopy approach to deduce the atomic structure of Au 144 (SR) 60 is first demonstrated. In conjunction with ab initio calculations, a high-precision, atomic-site-specific illustration of the bonding in Au 144 (SR) 60 is achieved. By comparing size-varied samples [Au 144 (SR) 60, Au 38 (SR) 24, and Au 25 (SR) 18 ], the size-dependent nature of bonding in gold−thiolate nanoparticles is revealed from both the sulfur and gold perspective.
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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) | 0.000 | 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) | 0.000 | 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