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Record W3007546941 · doi:10.1063/1.5141934

Tailoring electric field standing waves in reflection–absorption infrared spectroscopy to enhance absorbance from adsorbates on ice surfaces

2020· article· en· W3007546941 on OpenAlexafffund
Josée Maurais, Patrick Ayotte

Bibliographic record

VenueThe Journal of Chemical Physics · 2020
Typearticle
Languageen
FieldPhysics and Astronomy
TopicSpectroscopy and Quantum Chemical Studies
Canadian institutionsUniversité de Sherbrooke
FundersFonds de recherche du Québec – Nature et technologiesNatural Sciences and Engineering Research Council of CanadaUniversité de Sherbrooke
KeywordsAbsorbanceElectric fieldAbsorption (acoustics)Infrared spectroscopyMaterials scienceAnalytical Chemistry (journal)SpectroscopyInfraredAdsorptionAmorphous solidAbsorption spectroscopyChemistryOptics

Abstract

fetched live from OpenAlex

The spectroscopic detection of molecules adsorbed onto ice surfaces at coverages similar to those encountered under typical environmental conditions requires high surface selectivity and sensitivity that few techniques can afford. An experimental methodology allowing a significant enhancement in the absorbance from adsorbed molecules is demonstrated herein. It exploits Electric Field Standing Wave (EFSW) effects intrinsic to grazing incidence Reflection–Absorption Infrared (RAIR) spectroscopy, where film thickness dependent optical interferences occur between the multiple reflections of the IR beam at the film–vacuum and the substrate–film interfaces. In this case study, CH4 is used as a probe molecule and is deposited on a 20 ML coverage dense amorphous solid water film adsorbed onto solid Ar underlayers of various thicknesses. We observe that, at thicknesses where destructive interferences coincide with the absorption features from the CH stretching and HCH bending vibrational modes of methane, their intensity increases by a factor ranging from 10 to 25. Simulations of the RAIR spectra of the composite stratified films using a classical optics model reproduce the Ar underlayer coverage dependent enhancements of the absorbance features from CH4 adsorbed onto the ice surface. They also reveal that the enhancements occur when the square modulus of the total electric field at the film’s surface reaches its minimum value. Exploiting the EFSW effect allows the limit of detection to be reduced to a coverage of (0.2 ± 0.2) ML CH4, which opens up interesting perspectives for spectroscopic studies of heterogeneous atmospheric chemistry at coverages that are more representative of those found in the natural environment.

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 score0.002

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 head0.019
GPT teacher head0.290
Teacher spread0.271 · 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

Citations3
Published2020
Admission routes2
Has abstractyes

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