Intrinsic charge-mobility in benzothieno [3, 2-b][1] benzothiophene (BTBT) organic semiconductors is enhanced with long alkyl side-chains
Yazarlar (1)
Prof. Dr. Muzaffer ALKAN Kafkas Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Physical Chemistry Chemical Physics (Q1) | ||
| Makale Dili | – | Basım Tarihi | 01-2018 |
| Cilt / Sayı / Sayfa | 20 / 23 / 15970–15979 | DOI | – |
| Makale Linki | https://pubs.rsc.org/en/content/articlehtml/2018/cp/c8cp01640b | ||
| UAK Araştırma Alanları |
Fen Bilgisi Eğitimi
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| Özet |
| Recent measurements show that organic materials with a conjugated benzothieno-benzothiophene (BTBT) core exhibit unprecedented charge-carrier mobilities, dramatically influenced by the size of the side-chains. Using a multitude of computational tools, we, in depth, calculate the molecular ordering and charge-transport of these materials to rationalize the side-chain dependence. The reported experimental hole mobilities typically fall within the range of 1–100 cm2 V−1 s−1, therefore we employ both band transport models using deformation-potential theory based on DFT-D3 methodology and hopping transport using kinetic Monte Carlo simulations employing Marcus–Levich–Jortner charge-transfer theory. Band transport calculations are performed in a perfect lattice, considered as a structurally ordered morphology, while hopping transport calculations are performed for both ordered and disordered … |
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BM Sürdürülebilir Kalkınma Amaçları
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| Google Scholar | 37 |