The Effect of Molecular Structure and Reorganization Energy on the Charge Transport Properties of the Pyrazole Molecules

Yakalı G., Biçer A., Turgut Cin G.

4 th International Eurasian Conference on Science, Engineering and Technology (EurasianSciEnTech 2022, Ankara, Türkiye, 14 - 16 Aralık 2022, ss.1108-1111

  • Yayın Türü: Bildiri / Tam Metin Bildiri
  • Basıldığı Şehir: Ankara
  • Basıldığı Ülke: Türkiye
  • Sayfa Sayıları: ss.1108-1111
  • Akdeniz Üniversitesi Adresli: Evet

Özet

Pyrazole derivatives have noteworthy attention in optoelectronic field since they demonstrate distinctive

properties in semiconducting devices such as organic light emitting diodes (OLEDs), nonlinear optical

(NLO) and solar cells. organic field effect transistors (OFETs). Therefore, to investigate the charge

transport properties of the molecules, we utilised the information of 3D molecular structure of the molecules

and their reorganization energies by considering the crystallographic studies and quantum chemical

calculation methods. According to our results, we found that our molecules can be used for p-type

semiconducting materials with the high charge transport rate and they ensure the good method to create

new pyrazole molecules for high device performance. in optoelectronic field.