Organic semiconductors with higher carrier mobility and better transparency have been actively pursued for numerous applications, such as flat-panel display backplane and sensor arrays. The carrier mobility is an important figure of merit and is sensitively influenced by the crystallinity and the molecular arrangement in a crystal lattice. Here we describe the growth of a highly aligned meta-stable structure of 2,7-dioctyl[1]benzothieno [3,2-b][1]benzothiophene (C8-BTBT) from a blended solution of C8-BTBT and polystyrene by using a novel offcentre spin-coating method. Combined with a vertical phase separation of the blend, the highly aligned, meta-stable C8-BTBT films provide a significantly increased thin film transistor hole mobility up to 43 cm 2 Vs À 1 (25 cm 2 Vs À 1 on average), which is the highest value reported to date for all organic molecules. The resulting transistors show high transparency of 490% over the visible spectrum, indicating their potential for transparent, high-performance organic electronics.

For organic semiconductors to find ubiquitous electronics applications, the development of new materials with high mobility and air stability is critical. Despite the versatility of carbon, exploratory chemical synthesis in the vast chemical space can be hindered by synthetic and characterization difficulties. Here we show that in silico screening of novel derivatives of the dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene semiconductor with high hole mobility and air stability can lead to the discovery of a new high-performance semiconductor. On the basis of estimates from the Marcus theory of charge transfer rates, we identified a novel compound expected to demonstrate a theoretic twofold improvement in mobility over the parent molecule. Synthetic and electrical characterization of the compound is reported with single-crystal field-effect transistors, showing a remarkable saturation and linear mobility of 12.3 and 16 cm2 V−1 s−1, respectively. This is one of the very few organic semiconductors with mobility greater than 10 cm2 V−1 s−1 reported to date.

Organic single-crystalline p-n junctions are grown from mixed solutions. First, C60 crystals (n-type) form and, subsequently, C8-BTBT crystals (p-type) nucleate heterogeneously on the C60 crystals. Both crystals continue to grow simultaneously into single-crystalline p-n junctions that exhibit ambipolar charge transport characteristics. This work provides a platform to study organic single-crystalline p-n junctions.

We report a simple and scalable method to enrich large quantities of semiconducting arc-discharged single-walled carbon nanotubes (SWNTs) with diameters of 1.1-1.8 nm using dithiafulvalene/thiophene copolymers. Stable solutions of highly individualized and highly enriched semiconducting SWNTs were obtained after a simple sonication and centrifuge process. Molecular dynamics (MD) simulations of polymer backbone interactions with and without side chains indicated that the presence of long alkyl side chains gave rise to the selectivity toward semiconducting tubes, indicating the importance of the roles of the side chains to both solubilize and confer selectivity to the polymers. We found that, by increasing the ratio of thiophene to dithiafulvalene units in the polymer backbone (from pDTFF-1T to pDTFF-3T), we can slightly improve the selectivity toward semiconducting SWNTs. This is likely due to the more flexible backbone of pDTFF-3T that allows the favorable wrapping of SWNTs with certain chirality as characterized by small-angle X-ray scattering. However, the dispersion yield was reduced from pDTFF-1T to pDTFF-3T. MD simulations showed that the reduction is due to the smaller polymer/SWNT contact area, which reduces the dispersion ability of pDTFF-3T. These experimental and modeling results provide a better understanding for future rational design of polymers for sorting SWNTs. Finally, high on/off ratio solution-processed thin film transistors were fabricated from the sorted SWNTs to confirm the selective dispersion of semiconducting arc-discharge SWNTs.

A conjugated polymer (PBTTQ) that consists of alternating electron-rich bithiophene and electron-deficient thiadiazoloquinoxaline units was synthesized via Yamamoto polymerization with Ni(cod)(2) and provides a band gap of 0.94 eV. This represents one of the smallest band gaps obtained for a soluble conjugated polymer. When applied in a bulk heterojunction solar cell together with [84]PCBM as the electron acceptor, the polymer affords a response up to 1.3 microm.