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Record W2922349798 · doi:10.1021/acsnano.8b09166

Electronic Coupling in Metallophthalocyanine–Transition Metal Dichalcogenide Mixed-Dimensional Heterojunctions

2019· article· en· W2922349798 on OpenAlexfundno aff
Samuel H. Amsterdam, Teodor K. Stanev, Qunfei Zhou, Alexander J.‐T. Lou, Hadallia Bergeron, Pierre Darancet, Mark C. Hersam, Nathaniel P. Stern, Tobin J. Marks

Bibliographic record

VenueACS Nano · 2019
Typearticle
Languageen
FieldMaterials Science
Topic2D Materials and Applications
Canadian institutionsnot available
FundersCenter for Hierarchical Materials DesignBasic Energy SciencesNatural Sciences and Engineering Research Council of CanadaDivision of Electrical, Communications and Cyber SystemsU.S. Department of EnergyU.S. Department of DefenseInternational Institute for Nanotechnology, Northwestern UniversityOffice of ScienceQuest High Performance ComputingMaterials Research Science and Engineering Center, Harvard UniversityDivision of Materials ResearchNational Institute of Standards and TechnologyNational Defense Science and Engineering GraduateW. M. Keck FoundationNorthwestern UniversityNational Science Foundation
KeywordsTransition metalHeterojunctionMaterials scienceCoupling (piping)Electronic structureNanotechnologyChemical physicsCondensed matter physicsOptoelectronicsChemistryPhysicsMetallurgy

Abstract

fetched live from OpenAlex

Mixed-dimensional heterojunctions, such as zero-dimensional (0D) organic molecules deposited on two-dimensional (2D) transition metal dichalcogenides (TMDCs), often exhibit interfacial effects that enhance the properties of the individual constituent layers. Here we report a systematic study of interfacial charge transfer in metallophthalocyanine (MPc) – MoS 2 heterojunctions using optical absorption and Raman spectroscopy to elucidate M core (M = first row transition metal), MoS 2 layer number, and excitation wavelength effects. Observed phenomena include the emergence of heterojunction-specific optical absorption transitions and strong Raman enhancement that depends on the M identity. In addition, the Raman enhancement is tunable by excitation laser wavelength and MoS 2 layer number, ultimately reaching a maximum enhancement factor of 30x relative to SiO 2 substrates. These experimental results, combined with density functional theory (DFT) calculations, indicate strong coupling between nonfrontier MPc orbitals and the MoS 2 band structure as well as charge transfer across the heterojunction interface that varies as a function of the MPc electronic structure.

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 head0.009
GPT teacher head0.230
Teacher spread0.220 · 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

Citations81
Published2019
Admission routes1
Has abstractyes

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