Theoretical and experimental investigation on ADT organic semiconductor in different solvents

  • Dyari Mustafa Mamand University of Raparin, College of Science, Department of Physics, Sulaymaniyah, Iraq
  • Hazhar Hamad Rasul University of Raparin, College of Science, Department of Physics, Sulaymaniyah, Iraq
  • Peshang Khdir Omer University of Raparin, College of Science, Department of Chemistry, Sulaymaniyah, Iraq
  • Hiwa Mohammad Qadr University of Raparin, College of Science, Department of Physics, Sulaymaniyah, Iraq
Keywords: UV-visible spectroscopy, FTIR, HOMO, LUMO, HF and DFT


The purpose of this work is to investigate experimental and theoretical methods for the properties of (ADTs) organic semiconductors. The effect of solvent on optical and electrical on Anthradithiophene (ADT) characteristics was investigated. The optoelectronic properties associated with experimental work consists of bandgap energy, Tauc plot, transparency, electrical and optical conductance and dielectric properties calculated. For theoretical calculations, firstly, HOMO and LUMO have been used for the computation of the bandgap energy. The average bandgap energy between HOMO and LUMO is found to be 2.84 eV by using five basis sets in gas phases. After that, the FTIR has been elucidated. In addition, to determine the functional group, and determined the important region did not take place absorption. In general, this region did not
occur absorption which is around between 1650 cm-1 and 3200 cm-1 by using five basis sets. The UV-Vis spectroscopy was elucidated. Furthermore, to determine the energy band-gap, the average energy band gap was found to be 2.59 eV, and it was determined the correct transition type. The ADT molecule exhibited the indirect allowed transition.


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Author Biographies

Dyari Mustafa Mamand, University of Raparin, College of Science, Department of Physics, Sulaymaniyah, Iraq

MSc in Atomic and
Molecular Physics, Department of Physics

Hazhar Hamad Rasul, University of Raparin, College of Science, Department of Physics, Sulaymaniyah, Iraq

MSc in Atomic and Molecular
Physics, Department of Physics

Peshang Khdir Omer, University of Raparin, College of Science, Department of Chemistry, Sulaymaniyah, Iraq

MSc in Chemistry, Department
of Chemistry

Hiwa Mohammad Qadr, University of Raparin, College of Science, Department of Physics, Sulaymaniyah, Iraq

MSc in Physics, Lecture of
the Department of Physics


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How to Cite
Mamand, D. M., Rasul, H. H., Omer, P. K., & Qadr, H. M. (2022). Theoretical and experimental investigation on ADT organic semiconductor in different solvents. Condensed Matter and Interphases, 24(2), 227-242.
Original articles