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Benzimidazobenzophenanthroline molekülünün spektroskopik ve optoelektronik özelliklerinin incelenmesi

2020
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Advisor: Prof. Dr. Niyazi Bulut ; Doç. Dr. Bayram Gündüz

Abstract (EN)

*During this thesis, the band gap energy of the BBL molecule was determined. The quantum computational method was used to calculate band gap energy of BBL for HF and DFT approximations to the basis sets (3-21G, 6-31G, 6-311G). Thus, these approaches were compared for the BBL molecule. The electrostatic potential map implements the charge distribution on the surface of the BBL molecule. FTIR exhibits the functionality of the group that contributed to the production of the BBL. To determine the band gap energy of the BBL, HOMO and LUMO band gap energies were investigated and the orbital boundary molecule was offered. The most exceptional work is to apply to visible ultraviolet, radiation the basis of the electron transmission of BBL and is to explain the band gap energy according to the ultraviolet radiation of the Tauc plot. UV spectra of the BBL solution were performed using a spectrophotometer. Also, UV spectra and optical band gaps of the theoretical and experimental were compared with each other.

Author

Dr. Dyarı Mustafa Mamand

Institution

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Dyarı Mustafa Mamand (Master Thesis). Benzimidazobenzophenanthroline molekülünün spektroskopik ve optoelektronik özelliklerinin incelenmesi, 2020, Fırat University.

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