Structures of exfoliated single layers of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">WS</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mo>,</mml:mo></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">MoS</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mo>,</mml:mo></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">MoSe</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>in aqueous suspension
Why this work is in the frame
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Bibliographic record
Abstract
Single layers of the transition-metal dichalcogenides ${\mathrm{WS}}_{2},$ ${\mathrm{MoS}}_{2},$ and ${\mathrm{MoSe}}_{2}$ were formed as aqueous suspensions by lithium intercalation and exfoliation of crystalline powders and examined by x-ray diffraction and x-ray absorption fine structure (XAFS) spectroscopy. The two-dimensional characteristics of these systems were readily apparent through the absence of any (hkl) peaks $(l\ensuremath{\ne}0)$ and in the strong asymmetry of the $(\mathrm{hk}0)$ peaks in the diffraction patterns. Indexing the diffraction patterns with rectangular unit cells revealed the diselenide as the most distorted from the hexagonal structures of the parent materials, with the Mo atoms forming a ``zigzag'' structure which is also corrugated perpendicular to the layers. Mo K-edge and W L3-edge XAFS analysis using ${\mathrm{WTe}}_{2}$-related structural models enabled the determination of the short, intermediate, and long metal-metal near-neighbor distances with the shortest metal-metal distances contracted approximately 0.4 \AA{} compared to parent reference materials. Shifts in the Mo K-absorption-edge energy in ${\mathrm{MoSe}}_{2}$ correlated with changing Se-Se interactions. Combining the XAFS and diffraction results enabled an estimation of the layer puckering and atomic positions in three-dimensional models of the unit cells. Selenium K-edge XAFS also identified two selenium-oxygen scattering paths from water or ${\mathrm{OH}}^{\ensuremath{-}}$ ions coordinating the layers of exfoliated ${\mathrm{MoSe}}_{2}.$
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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 | 0.008 | 0.007 |
| Meta-epidemiology (narrow) | 0.005 | 0.009 |
| Meta-epidemiology (broad) | 0.002 | 0.008 |
| Bibliometrics | 0.003 | 0.006 |
| Science and technology studies | 0.006 | 0.008 |
| Scholarly communication | 0.007 | 0.007 |
| Open science | 0.010 | 0.010 |
| Research integrity | 0.010 | 0.007 |
| Insufficient payload (model declined to judge) | 0.847 | 0.012 |
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