ArticleScientific reports2017
A DFT Study on the Electronic Structures and Conducting Properties of Rubrene and its Derivatives in Organic Field-Effect Transistors.
Article in Scientific reports, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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Who cites it
7 citing papers in PubMed, 50 citations in OpenAlex.
- Potential Building Blocks for 1,4-Dihydro-N-heteroacenes.ChemistryOpen · 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
- Influence of non-covalent interactions in dictating the polarity and mobility of charge carriers in a series of crystalline NDIs: a computational case study.RSC advances · 2021Article
- Comparison of charge transport and opto-electronic properties of pyrene and anthracene derivatives for OLED applications.Journal of molecular modeling · 2021Article
- A DFT study on the photoelectric properties of rubrene and its derivatives.Journal of molecular modeling · 2020Article
- A computational study of anisotropic charge transport in air-stable fluorinated benzobisbenzothiophene (FBBBT) derivatives.Journal of molecular modeling · 2019Article
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Authors and funding
3 authors at 2 institutions in 1 country.
Funding
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Abstract
We systematically studied the electronic structures and conducting properties of rubrene and its derivatives reported recently, and disscussed the influences of electron-withdrawing groups and chemical oxidation on the reorganization energies, crystal packing, electronic couplings, and charge injection barrier of rubrene. Hirshfeld surface analysis and quantum-chemical calculations revealed that the introduction of CF
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