ArticleChemistry of materials : a publication of the American Chemical Society2021
Bright Frenkel Excitons in Molecular Crystals: A Survey.
Article in Chemistry of materials : a publication of the American Chemical Society, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed.
- A multireference excited state database for correlation-aware screening of organic semiconductors in excitonic energy-materials discovery.Journal of materials chemistry. A · 2026Article
- Strongly Anisotropic and Rapid Excitons Transport in Organic Crystal.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Article
- Exciton-polariton dynamics in multilayered materials.Nature communications · 2026Article
- "Direct" measurement of delocalized molecular excitonic wave functions through excitonic and vibronic photon imaging.Science advances · 2026Article
- Structure prediction of porous organic crystals.RSC advances · 2026Article
- Aggregates and Excitons: Excited-State Behavior of Platinum-Acetylide Two-Photon Chromophore-Doped Ormosil Glasses.The journal of physical chemistry. A · 2025Article
- Identification of Unknown Inverted Singlet-Triplet Cores by High-Throughput Virtual Screening.Journal of the American Chemical Society · 2023Article
- Directed exciton transport highways in organic semiconductors.Nature communications · 2023Article
- Theoretical Description of Attosecond X-ray Absorption Spectroscopy of Frenkel Exciton Dynamics.Molecules (Basel, Switzerland) · 2023Article
- Semi-Empirical Calculation of Bodipy Aggregate Spectroscopic Properties through Direct Sampling of Configurational Ensembles.International journal of molecular sciences · 2022Article
- Exciton transport in molecular organic semiconductors boosted by transient quantum delocalization.Nature communications · 2022Article
- Feasibility of p-Doped Molecular Crystals as Transparent Conductive Electrodes via Virtual Screening.Chemistry of materials : a publication of the American Chemical Society · 2022Article
- Organic materials repurposing, a data set for theoretical predictions of new applications for existing compounds.Scientific data · 2022Article
- High-throughput virtual screening for organic electronics: a comparative study of alternative strategies.Journal of materials chemistry. C · 2021Review
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Authors and funding
3 authors.
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Abstract
We computed the optical properties of a large set of molecular crystals (∼2200 structures) composed of molecules whose lowest excited states are strongly coupled and generate wide excitonic bands. Such bands are classified in terms of their dimensionality (1-, 2-, and 3-dimensional), the position of the optically allowed state in relation with the excitonic density of states, and the presence of Davydov splitting. The survey confirms that one-dimensional aggregates are rare in molecular crystals highlighting the need to go beyond the simple low-dimensional models. Furthermore, this large set of data is used to search for technologically interesting and less common properties. For instance, we considered the largest excitonic bandwidth that is achievable within known molecular crystals and identified materials with strong super-radiant states. Finally, we explored the possibility that strong excitonic coupling can be used to generate emissive states in the near-infrared region in materials formed by molecules with bright visible absorption and we could identify the maximum allowable red shift in this material class. These insights with the associated searchable database provide practical guidelines for designing materials with interesting optical properties.
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