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Record W4319314509 · doi:10.1021/acsenergylett.2c02856

Universal Band Alignment Rule for Perovskite/Organic Heterojunction Interfaces

2023· article· en· W4319314509 on OpenAlexaff
Nan Chen, Deying Luo, Peng Chen, Shunde Li, Juntao Hu, Dengke Wang, Rui Zhu, Zheng‐Hong Lu

Bibliographic record

VenueACS Energy Letters · 2023
Typearticle
Languageen
FieldEngineering
TopicPerovskite Materials and Applications
Canadian institutionsUniversity of Toronto
FundersYunnan UniversityNatural Science Foundation of Beijing MunicipalityMinistry of Science and Technology of the People's Republic of China
KeywordsPerovskite (structure)HeterojunctionPassivationHOMO/LUMOFermi levelBand gapMaterials scienceElectronic band structureIonization energyCondensed matter physicsSemiconductorOptoelectronicsChemistryIonizationNanotechnologyPhysicsCrystallographyElectronQuantum mechanics

Abstract

fetched live from OpenAlex

In contrast with the band alignment rule governing conventional semiconductor heterojunctions, the Fermi level position (i.e., work function, ϕ psk ) of the perovskite and the differences in ionization energies of the organics are shown to dictate the band alignment and band offsets at perovskite/organic heterojunction interfaces. The experimental data show that the interface band alignments follow a universal alignment rule with three different energy windows: pinning of unoccupied molecular orbital states (LUMO) to the perovskite Fermi level, band offsets mediated by perovskite work functions, and pinning of occupied molecular orbital states (HOMO) to the perovskite Fermi level. The surface-passivated perovskites and several common native perovskites are all found to follow the same band alignment rule. Data scattering in measured band offsets, however, is observed on the same type of perovskites without proper surface passivation treatment. Solar cells made on the perovskites without surface passivation are also found to exhibit a large dispersive distribution in energy conversion efficiencies.

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)0.001
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
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0010.000
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 head0.008
GPT teacher head0.192
Teacher spread0.184 · 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
Published2023
Admission routes1
Has abstractyes

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