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Record W2098527861 · doi:10.1126/science.1217745

The Role of Driving Energy and Delocalized States for Charge Separation in Organic Semiconductors

2012· article· en· W2098527861 on OpenAlexfundno aff
Artem A. Bakulin, Akshay Rao, Vlad G. Pavelyev, P. H. M. van Loosdrecht, Maxim S. Pshenichnikov, Dorota Niedziałek, Jérôme Cornil, David Beljonne, Richard H. Friend

Bibliographic record

VenueScience · 2012
Typearticle
Languageen
FieldEngineering
TopicOrganic Electronics and Photovoltaics
Canadian institutionsnot available
FundersEngineering and Physical Sciences Research CouncilFonds De La Recherche Scientifique - FNRSCorpus Christi College, University of CambridgeNatural Sciences and Engineering Research Council of CanadaAlexander von Humboldt-StiftungNederlandse Organisatie voor Wetenschappelijk OnderzoekStichting voor Fundamenteel Onderzoek der Materie
KeywordsDelocalized electronExcitonPhotoinduced charge separationPicosecondExcited stateChemical physicsIntermolecular forceAtomic physicsElectronOrganic semiconductorMolecular physicsCharge carrierDissociation (chemistry)ChemistryMaterials scienceOptoelectronicsCondensed matter physicsPhysicsPhotocatalysisMoleculeQuantum mechanics

Abstract

fetched live from OpenAlex

The electron-hole pair created via photon absorption in organic photoconversion systems must overcome the Coulomb attraction to achieve long-range charge separation. We show that this process is facilitated through the formation of excited, delocalized band states. In our experiments on organic photovoltaic cells, these states were accessed for a short time (<1 picosecond) via infrared (IR) optical excitation of electron-hole pairs bound at the heterojunction. Atomistic modeling showed that the IR photons promote bound charge pairs to delocalized band states, similar to those formed just after singlet exciton dissociation, which indicates that such states act as the gateway for charge separation. Our results suggest that charge separation in efficient organic photoconversion systems occurs through hot-state charge delocalization rather than energy-gradient-driven intermolecular hopping.

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 studies0.0000.001
Scholarly communication0.0000.001
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 head0.004
GPT teacher head0.219
Teacher spread0.214 · 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

Citations1,176
Published2012
Admission routes1
Has abstractyes

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