N-Alkyldinaphthocarbazoles, Azaheptacenes, for Solution-Processed Organic Field-Effect Transistors
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In an electronic device based on two dimensional (2D) transitional metal dichalcogenides (TMDs), finding a low resistance metal contact is critical in order to achieve the desired performance. However, due to the unusual Fermi level pinning in metal/2D TMD interface, the performance is limited. Here, we investigate the electronic properties of TMDs and transition metal oxide (TMO) interfaces (MoS 2 /MoO 3 ) using density functional theory (DFT). Our results demonstrate that, due to the large work function of MoO 3 and the relative band alignment with MoS 2 , together with small energy gap, the MoS 2 /MoO 3 interface is a good candidate for a tunnel field effect (TFET)-type device. Moreover, if the interface is not stoichiometric because of the presence of oxygen vacancies in MoO 3 , the heterostructure is more suitable for p-type (hole) contacts, exhibiting an Ohmic electrical behavior as experimentally demonstrated for different TMO/TMD interfaces. Our results reveal that the defect state induced by an oxygen vacancy in the MoO3 aligns with the valance band of MoS 2 , showing an insignificant impact on the band gap of the TMD. This result highlights the role of oxygen vacancies in oxides on facilitating appropriate contacts at the MoS 2 and MoO x (x < 3) interface, which consistently explains the available experimental observations.
The field-effect hole mobility of rubicene having high ionization energy (~5.5 eV) is 0.20 cm 2 V -1 s -1 and is improved to 0.32 cm 2 V -1 s -1 with PFBT SAM treatment which reduces the hole injection barrier and induces an edge-on configuration.
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A multi-vinyl linked conjugated polymer PTBTV exhibits a hole mobility of up to 3.2 cm 2 V -1 s -1 with relatively low crystallinity.