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Record W4387948733 · doi:10.1021/acs.jpca.3c04761

Understanding the Reaction Chemistry of 1,1,3,3-Tetramethyldisilazane as a Precursor Gas in a Catalytic Chemical Vapor Deposition Process

2023· article· en· W4387948733 on OpenAlexafffund
James Stevenson, Eric Ampong, Yujun Shi

Bibliographic record

VenueThe Journal of Physical Chemistry A · 2023
Typearticle
Languageen
FieldMaterials Science
TopicCatalytic Processes in Materials Science
Canadian institutionsUniversity of Calgary
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsChemistryCatalysisChemical ionizationPhotochemistryDecompositionAlkylChemical reactionIonizationAnalytical Chemistry (journal)Physical chemistryOrganic chemistryIon

Abstract

fetched live from OpenAlex

The reaction chemistry of 1,1,3,3-tetramethyldisilazane (TMDSZ) in catalytic chemical vapor deposition (Cat-CVD), including its primary decomposition on a heated W filament and secondary gas-phase reactions in a Cat-CVD reactor, was studied using 10.5 eV vacuum ultraviolet single-photon ionization and/or laser-induced electron ionization in tandem with time-of-flight mass spectrometry. It has been demonstrated that TMDSZ initially breaks down to form various species, including methyl radical (•CH 3 ), ammonia (NH 3 ), and 1,1-dimethylsilanimine (DMSA). The activation energies ( E a ) for the formation of •CH 3 and NH 3 were determined to be 61.2 ± 1.0 and 42.1 ± 0.9 kJ mol –1, respectively, in the temperature range of 1400–2000 and 900–2400 °C. It was found that the formation of DMSA may have two different contributing routes, i.e., a concerted one ( E a = 33.6 ± 2.3 kJ mol –1 ) at lower temperatures of 900–1500 °C and a stepwise one ( E a = 155.0 ± 7.8 kJ mol –1 ) at higher temperatures of 2100–2400 °C. The secondary gas-phase reactions occurring in the Cat-CVD reactor environment were found to stem from two competing processes. The first one, free-radical short-chain reactions initiated by •CH 3 formation and propagated by H abstraction reactions, is the dominating chemical process, producing many high-mass stable alkyl-substituted or silyl-substituted disilazane or trisilazane products via radical recombination reactions. Head-to-tail cycloaddition of unstable DMSA is the second contributing chemical process, which forms cyclodisilazane species. In addition, evidence was found for the conversion of NH 3 into H 2 and N 2 in the Cat-CVD reactor.

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 machine prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
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 score0.001
Threshold uncertainty score0.004

Distilled classifier scores by category (both heads)

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 science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

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 head0.294
Teacher spread0.264 · 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 source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
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

Citations0
Published2023
Admission routes2
Has abstractyes

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