Regular Article

Experimental and computational study of triphenylamine dyes for photovoltaic cell applications

¹ Department of Physics, Sultan Moulay Slimane University, Beni-Mellal 23000, Morocco
² Department of Engineering Sciences, Faculty of Engineering and Architecture, Izmir Katip Celebi University, Cigli 35620, Izmir, Turkey
³ Vocational School of Technical Sciences, Kirsehir Ahi Evran University, Kirsehir, Turkey
⁴ LCOBE, Faculty of Sciences, Chouaib Doukkali University 24000, El jadida, Morocco
⁵ Higher School of Education and Training, Chouaib Doukkali University, El Haouziya 24000, El jadida, Morocco
⁶ TCPAM, Polydisciplinary Faculty, Sultan Moulay Slimane University, Beni-Mellal 23000, Morocco

^* e-mail: a.aboulouard@usms.ma; bensemlali.meryem@gmail.com

Received: 10 November 2022
Received in final form: 2 January 2023
Accepted: 4 January 2023
Published online: 21 March 2023

Abstract

We investigate a new family of the triphenylamine dyes by the help of quantum physics computations relaying on density functional theory (DFT) including time dependent-density functional theory (TD-DFT) calculations. We examine the distributions of molecular orbitals, the light collection efficiency, the absorption properties, the oscillator forces, the electronic excitation energy, and the injection driving forces. Among others, we reveal that the organic dyes involve a narrow band gap and good optical behaviors. Moreover, we approach the photovoltaic features of such novel materials. We find that they exhibit the capacity to inject the electrons into the conduction band. We expect that the obtained results could support the applications of such materials in solar energy productions.