This PDF file contains the front matter associated with SPIE Proceedings Volume 9943, including the Title Page, Copyright information, Table of Contents, Introduction (if any), and Conference Committee listing.

The high performance air stable organic semiconductor small molecule dinaphtho[2,3-b:2',3'-f]thieno[3,2-b]thiophene (DNTT) was chosen as active layer for field effect transistors built to realize flexible amplifier circuits. Initial device on rigid Si/SiO₂ substrate showed appreciable performance with hysteresis-free characteristics. A number of approaches were applied to simplify the process, improve device performance and decrease the operating voltage: they include an oxide interfacial layer to decrease contact resistance; a polymer passivation layer to optimize semiconductor/dielectric interface and an anodized high-k oxide as dielectric layer for low voltage operation. The devices fabricated on plastic substrate yielded excellent electrical characteristics, showing mobility of 1.6 cm²/Vs, lack of hysteresis, operation below 5 V and on/off current ratio above 10⁵. An OFET model based on variable ranging hopping theory was used to extract the relevant parameters from the transfer and output characteristics, which enabled us to simulate our devices achieving reasonable agreement with the measurements

A new computational model to predict the hole mobility of poly-crystalline organic semiconductors in thin film was developed (refer to Phys. Chem. Chem. Phys., 2016, DOI: 10.1039/C6CP02993K). Site energy differences and transfer integrals in crystalline morphologies of organic molecules were obtained from quantum chemical calculation, in which the periodic boundary condition was efficiently applied to capture the interactions with the surrounding molecules in the crystalline organic layer. Then the parameters were employed in kinetic Monte Carlo (kMC) simulations to estimate the carrier mobility. Carrier transport in multiple directions has been considered in the kMC simulation to mimic polycrystalline characteristic in thin-film condition. Furthermore, the calculated mobility was corrected with a calibration equation based on the microscopic images of thin films to take the effect of grain boundary into account. As a result, good agreement was observed between the predicted and measured hole mobility values for 21 molecular species: the coefficient of determination (R²) was estimated to be 0.83 and the mean absolute error was 1.32 cm² V⁻¹ s⁻¹. This numerical approach can be applied to any molecules for which crystal structures are available and will provide a rapid and precise way of predicting the device performance.

Transport in organic semiconductors has traditionally been investigated using measurements of the temperature and gate voltage dependent mobility of charge carriers within the channel of organic field-effect transistors (OFETs). In such measurements, the behavior of charge carrier mobility with temperature and gate voltage, studied together with carrier activation energies, provide a metric to quantify the extent of disorder within these van der Waals bonded materials. In addition to the mobility and activation energy, another potent but often-overlooked transport coefficient useful in understanding disorder is the Seebeck coefficient (also known as thermoelectric power). Fundamentally, the Seebeck coefficient represents the entropy per charge carrier in the solid state, and thus proves powerful in distinguishing materials in which charge carriers move freely from those where a high degree of disorder causes the induced carriers to remain trapped. This paper briefly covers the recent highlights in the field of organic thermoelectrics, showing how significant strides have been made both from an applied standpoint as well as from a viewpoint of fundamental thermoelectric transport physics. It shall be illustrated how thermoelectric transport parameters in organic semiconductors can be tuned over a significant range, and how this tunability facilitates an enhanced performance for heat-to-electricity conversion as well as quantifies energetic disorder and the nature of the density of states (DOS). The work of the authors shall be spotlighted in this context, illustrating how Seebeck coefficient measurements in the polymer indacenodithiophene-co-benzothiadiazole (IDTBT) known for its ultra-low degree of torsion within the polymer backbone, has a trend consistent with low disorder. ¹ Finally, using examples of the small molecules C8-BTBT and C10-DNTT, it shall be discussed how the Seebeck coefficient can aid the estimation of the density and distribution of trap states within these materials. ^{2, 3}

Organic thin film transistors (OTFTs) based on single crystalline thin films of organic semiconductors have seen considerable development in the recent years. The most successful method for the fabrication of single crystalline films are solution-based meniscus guided coating techniques such as dip-coating, solution shearing or zone casting. These upscalable methods enable rapid and efficient film formation without additional processing steps. The single-crystalline film quality is strongly dependent on solvent choice, substrate temperature and coating speed. So far, however, process optimization has been conducted by trial and error methods, involving, for example, the variation of coating speeds over several orders of magnitude. Through a systematic study of solvent phase change dynamics in the meniscus region, we develop a theoretical framework that links the optimal coating speed to the solvent choice and the substrate temperature. In this way, we can accurately predict an optimal processing window, enabling fast process optimization. Our approach is verified through systematic OTFT fabrication based on films grown with different semiconductors, solvents and substrate temperatures. The use of best predicted coating speeds delivers state of the art devices. In the case of C₈BTBT, OTFTs show well-behaved characteristics with mobilities up to 7 cm²/Vs and onset voltages close to 0 V. Our approach also explains well optimal recipes published in the literature. This route considerably accelerates parameter screening for all meniscus guided coating techniques and unveils the physics of single crystalline film formation.