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Record W2618397077 · doi:10.1021/acs.chemmater.7b02029

Postsynthetic Route for Modifying the Metal—Insulator Transition of VO<sub>2</sub> by Interstitial Dopant Incorporation

2017· article· en· W2618397077 on OpenAlexafffund
Theodore E. G. Alivio, Diane G. Sellers, Hasti Asayesh‐Ardakani, Erick J. Braham, Gregory A. Horrocks, Kate E. Pelcher, Ruben Villareal, Lucia Zuin, Patrick J. Shamberger, Raymundo Arróyave, Reza Shahbazian‐Yassar, Sarbajit Banerjee

Bibliographic record

VenueChemistry of Materials · 2017
Typearticle
Languageen
FieldMaterials Science
TopicTransition Metal Oxide Nanomaterials
Canadian institutionsCanadian Light Source (Canada)University of Saskatchewan
FundersDivision of Materials ResearchDivision of Civil, Mechanical and Manufacturing InnovationNational Research Council CanadaWestern Economic Diversification CanadaNatural Sciences and Engineering Research Council of Canada
KeywordsDopantMaterials sciencePhase diagramDopingCondensed matter physicsMonoclinic crystal systemChemical physicsInterstitial defectMetal–insulator transitionGlazingPhase transitionAnnealing (glass)NanotechnologyDensity functional theoryOptoelectronicsCrystallographyPhase (matter)MetalCrystal structureChemistryComputational chemistryPhysicsMetallurgyComposite materialOrganic chemistry

Abstract

fetched live from OpenAlex

The thermally driven orders-of-magnitude modulation of resistance and optical transmittance observed in VO 2 makes it an archetypal first-order phase transition material and underpins functional applications in logic and memory circuitry, electromagnetic cloaking, ballistic modulation, and thermochromic glazing to provide just a few representative examples. VO 2 can be reversibly switched from an insulating to a metallic state at an equilibrium transition temperature of 67 °C. Tuning the phase diagram of VO 2 to bring the transition temperature closer to room temperature has been a longstanding objective and one that has tremendous practical relevance. Substitutional incorporation of dopants has been the most common strategy for modulating the metal—insulator transition temperature but requires that the dopants be incorporated during synthesis. Here we demonstrate a novel postsynthetic diffusive annealing approach for incorporating interstitial B dopants within VO 2 . The postsynthetic method allows for the transition temperature to be programmed after synthesis and furthermore represents an entirely distinctive mode of modulating the phase diagram of VO 2 . Local structure studies in conjunction with density functional theory calculations point to the strong preference of B atoms for tetrahedral coordination within interstitial sites of VO 2; these tetrahedrally coordinated dopant atoms hinder the rutile → monoclinic transition by impeding the dimerization of V–V chains and decreasing the covalency of the lattice. The results suggest that interstitial dopant incorporation is a powerful method for modulating the transition temperature and electronic instabilities of VO 2 and provides a facile approach for postsynthetic dopant incorporation to reach a switching temperature required for a specific application.

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 score0.003

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 integrity0.0000.001
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 head0.017
GPT teacher head0.240
Teacher spread0.224 · 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

Citations43
Published2017
Admission routes2
Has abstractyes

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