A theoretical study of charge-transfer properties of a new material involving naphthalenyl unit

Authors : Emine TANIŞ

Pages : 24-27

View : 13 | Download : 10

Publication Date : 2021-08-02

Article Type : Research Paper

Abstract :In this study, the charge transport properties of 4- [insert ignore into journalissuearticles values(E);- [insert ignore into journalissuearticles values(2-hydroxy-1-naphthalenyl); methylene] amino] -3-methyl benzoic acid insert ignore into journalissuearticles values(HNMB); molecule were determined by using Marcus and DFT methods. In addition to this, reorganization energies insert ignore into journalissuearticles values(λe and λh);, the ionization potentials insert ignore into journalissuearticles values(IPs);, and the electron affinities insert ignore into journalissuearticles values(EAs); are also reported. It is understood from the results that HNMB has suitable photovoltaic properties in terms of solar cells.
Keywords : Marcus method, charge transport properties, reorganization energy, solar cells