Characterization of Na-Loaded Type II Si and Ge Clathrates: A Systematic StructureâProperty Evaluation of Thermoelectric Materials
Bibliographic record
Abstract
The present study aims to increase understanding of the physical processes that govern thermoelectric efficiency in Na-containing group 14 type II clathrates. This has been achieved through structural characterization and physical property measurements. \nLocal and electronic structures of Si clathrates with the formula NaxSi136, where x = 0, 1.3, 5.5, 7.2, 8.8, 14.1, 20 and 21.5 were studied using x-ray absorption spectroscopy. Thermoelectric properties, namely Seebeck coefficient, electrical conductivity and thermal conductivity were measured from 2.5 K to 400 K. Low Na content samples, x < 8, showed reduced thermal conductivity compared to the empty clathrate, x = 0. For x > 8, increased Na content led to increased charge transfer, increased thermal conductivity and decreased magnitude of Seebeck voltages. \nThe heat capacities of the NaxSi136 materials were measured from 2.5 K to 300 K. Analysis of the heat capacity data showed that the vibrational modes associated with Na in the Si28 cages are of sufficiently low energies to interact with heat transporting acoustic phonons, leading to reduced thermal conductivity as x is increased up to ~ 8. Increasing Na content beyond x = 8 introduces Na into the Si20 cages. This stiffens the lattice, increasing (or maintaining) phononic contributions to thermal conductivity, and increasing electronic contributions. Electronic thermal conductivity is responsible for upwards of 50 % of heat conduction when x = 21.5. \nNa containing type II Ge clathrates were produced using an ionic liquid reaction medium. Seebeck coefficients observed in Na9Ge136 materials, were negative but larger in magnitude than those of the NaxSi136 materials and thermal conductivities of Na9Ge136 were lower than those of the NaxSi136 materials. \nWhile both Si and Ge type II clathrates showed modest figures of merit, with maximum ZT values of 2.5 × 10-6 and 2.8 × 10-5 observed in Na20Si136 and Na¬9Ge136, of the two framework elements, type II Ge clathrates have been shown to have more favourable thermoelectric properties.
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How this classification was reachedexpand
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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 | 0.000 | 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 itClassification
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