Electrical conductivity and optical properties of poly(3‐thiophene boronic acid) organic semiconductor

Abstract

Electrical conductivity and optical properties of the poly(3-thiophene boronic acid) have been investigated. The room temperature electrical conductivity and activation energy of the poly(3-thiophene boronic acid) were 2.0 3 10 29 S/cm and 0.17 eV, respectively. In the semiconductor region of the polymer, the charge transport mechanism is taking place by the hopping process in the localized states. The direct optical band gap value of the poly(3-thiophene boronic acid) was found to be 1.92 eV via optical absorption method. The width of localized states for the polymer was determined to be 0.36 eV. The refractive index dispersion curve of the polymer obeys the single oscillator model. The refractive index dispersion parameter E o /S o for the poly(3-thiophene boronic acid) was determined to be 9.82 3 10 12 eV m 2 . The optical dielectric constants of the polymer were determined. The real part of the dielectric constant of the polymer is higher than that of imaginary part of the dielectric constant. The imaginary part shows a peak corresponding to the absorption edge. It is evaluated that the electrical and optical results of the poly(3-thiophene boronic acid) indicate that it is an organic semiconductor with electrical and optical parameters. POLYM. ENG. SCI., 49:722-726, 2009.

Electro-optical properties of the perfect reflector material: Poly(3-thiophene boronic acid) semiconducting polymer

“…Density mixing was preferred by the Pulay scheme and in this basic setup FFT grid density precise 72 × 36 × 64 and augmentation density scaling factor is 1.5. Unfortunately, the experimental data for PTBA are more limited and there is no theoretical results for comparison. Then, to validate our calculations we also re‐optimized the unit cell with three different simulation approaches: the local density approach (LDA) of Castep package , the revised the Perdew–Burke–Ernzerhof (RPBE) level of the generalized gradient approximation (GGA) of DMol 3 package and atomic based with adjusted basis set Newton‐Raphson (ABNR) approach of Forcite package .…”

“…Recently, a thiophene‐backbone boron containing polymer the poly(3‐thiophene boronic acid) (PTBA), which is an interesting organic polymer as well as optical semiconductor material, was synthesized by Yakuphanoğlu and Şenkal , and the polymerization of PTBA, electrical conductivity and also optical properties (absorption spectra, reflectance, refractive index and complex dielectric constant) were reported. Then in 2011, PTBA was resynthesized by performing electrochemical experimental techniques as a novel hydrogen peroxide (H 2 O 2 ) biosensor, and also, enzyme‐PTBA polymeric biocomposites prepared for high performance biosensing .…”

“…The geometry optimizations were performed employing a unit cell containing two thiophene‐boronic acid repeat units. It is well known that, such a small unit cell immediately imposes a certain constraint to the possible polymer conformations and polymerization chain arrangements available to the simulation, but in a view of previous experimental morphology such conformational degrees of freedom are necessary for realistic studies of the polymeric matter. However, there is typically a complicated relationship between polymer morphology and electronic structure.…”

A Comparative Study on Electrokinetic Properties of Boronic Acid Derivative Polymers in Aqueous and Nonaqueous Media

“…Although PABA and poly(vinylbenzeneboronic acid) (PVBBA) are the most studied boronic acid derivatives, there are a limited number of reports on poly(thiophene‐3‐boronic acid) (PTBA) in the literature. One of these studies was carried out by Yakuphanoglu and Senkal who chemically synthesized PTBA using K 2 Cr 2 O 7 as oxidant and reported its conductivity and optical properties . In another study, PTBA film was electrochemically synthesized and used as H 2 O 2 sensor .…”

Fabrication of Conducting Poly(3-thiophene boronic acid)-Grafted Multi-Walled Carbon Nanotubes by Oxidative Polymerization

“…The absorption band at 760 is assigned for C S stretching. Finally, the characteristic bands at 3340, 1620, 1400, 920, and 790 cm −1 inFigure 1(C) are assigned for the bare polymer 32. …”