P3HT and PBTTT: a comparative molecular dynamics study inspired by OTFT fabrication techniques: Organic Thin Film Transistors (OTFT) are metal-insulator-semiconductor field-effect transistors in which the semiconductor is a conjugated organic material. They are the subject of intense industrial research because their fabrication process is less expensive when compared with inorganic TFTs. The most used organic material for their construction consists in two semiconductor polymers, namely poly(3-hexylthiophene) (P3HT) and poly(2,5-bis(3-alkylthiophen-2-yl)thieno[3,2-b]thiophene) (PBTTT). Despite the large amount of experimental efforts in the characterization of the electronic properties of these devices, several questions regarding their morphological arrangement and the interface with biologic material (phospholipid bilayer) remain wide open. We have recently approached this field of research by applying Molecular Dynamics simulations to investigate bulk and interface properties of these two polymers. Our simulations were inspired by OTFT fabrication techniques: in particular, we have characterized the effects produced by the annealing process, widely used to enhance the charge transport properties of these devices, and by the presence of residual solvent molecules after the spin coating deposition procedure. We will present the results obtained in bulk and at the interfaces polymer/vacuum, polymer/SiO2 and polymer/phospholipidic membrane, discuss their relevance in the phenomenological context and highlight a roadmap for future plans of research.
P3HT and PBTTT: a comparative molecular dynamics study inspired by OTFT fabrication techniques
LATTANZI, GIANLUCA;
2013-01-01
Abstract
P3HT and PBTTT: a comparative molecular dynamics study inspired by OTFT fabrication techniques: Organic Thin Film Transistors (OTFT) are metal-insulator-semiconductor field-effect transistors in which the semiconductor is a conjugated organic material. They are the subject of intense industrial research because their fabrication process is less expensive when compared with inorganic TFTs. The most used organic material for their construction consists in two semiconductor polymers, namely poly(3-hexylthiophene) (P3HT) and poly(2,5-bis(3-alkylthiophen-2-yl)thieno[3,2-b]thiophene) (PBTTT). Despite the large amount of experimental efforts in the characterization of the electronic properties of these devices, several questions regarding their morphological arrangement and the interface with biologic material (phospholipid bilayer) remain wide open. We have recently approached this field of research by applying Molecular Dynamics simulations to investigate bulk and interface properties of these two polymers. Our simulations were inspired by OTFT fabrication techniques: in particular, we have characterized the effects produced by the annealing process, widely used to enhance the charge transport properties of these devices, and by the presence of residual solvent molecules after the spin coating deposition procedure. We will present the results obtained in bulk and at the interfaces polymer/vacuum, polymer/SiO2 and polymer/phospholipidic membrane, discuss their relevance in the phenomenological context and highlight a roadmap for future plans of research.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
