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Record W4392285513 · doi:10.26434/chemrxiv-2024-1342w

Unlocking the Secrets of Porous Silicon Formation: Insights into Magnesiothermic Reduction Mechanism using In-situ Powder X-ray Diffraction Studies

2024· preprint· en· W4392285513 on OpenAlexafffund
Sarah A. Martell, Maximilian Yan, Robert H. Coridan, Kevin H. Stone, Siddharth V. Patwardhan, Mita Dasog

Bibliographic record

VenueChemRxiv · 2024
Typepreprint
Languageen
FieldMaterials Science
TopicSilicon Nanostructures and Photoluminescence
Canadian institutionsDalhousie University
FundersNatural Sciences and Engineering Research Council of CanadaEngineering and Physical Sciences Research CouncilMitacsU.S. Department of EnergyKillam TrustsFaraday InstitutionUK Research and Innovation
KeywordsPorosityMaterials sciencePorous siliconDiffractionIn situSiliconReduction (mathematics)Raw materialPowder diffractionReaction mechanismChemical engineeringReaction rateProcess (computing)X-rayNanotechnologyCrystallographyChemistryCatalysisComputer scienceComposite materialOptoelectronicsOrganic chemistryOpticsPhysics

Abstract

fetched live from OpenAlex

The magnesiothermic reduction of SiO2 is an important reaction as it is a bulk method that produces porous Si for a wide range of applications directly from SiO2. While its main advantage is potential tunability, the reaction behavior and final product properties are heavily dependent on many parameters including feedstock type. However, a complete understanding of the reaction pathway has not yet been achieved. Here, using in-situ X-ray diffraction analysis, we map for the first time, various pathways through which the magnesiothermic reduction reaction proceeds. Further, we identified the key parameters and conditions that determine which pathways are favored. We discovered that the reaction onset temperatures can be as low as 348 ± 7°C, which is significantly lower than previously reported values. The onset temperature is dependent on the size of Mg particles. Further, Mg2Si was identified as a key intermediate rather than a reaction byproduct during the reduction process. Its rate of consumption is determined by the reaction temperature which needs to be >535°C. These findings can enable process and product optimization of the magnesiothermic reduction process to manufacture and tune porous Si for a range of applications.

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.

How this classification was reachedexpand

Full frame distilled prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.028
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.001
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

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.

Opus teacher head0.030
GPT teacher head0.289
Teacher spread0.260 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

Study designBench or experimental
Domainnot available
GenreEmpirical

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".

Quick stats

Citations2
Published2024
Admission routes2
Has abstractyes

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