Browsing Araştırma Çıktıları / Research Outputs by Subject "TD-DFT"

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Environmentally compatible and highly improved hole transport materials (HTMs) based on benzotrithiophene (BTT) skeleton for perovskite as well as narrow bandgap donors for organic solar cells

Zahid, Saba; Rasool, Alvina; Ans, Muhammad; Akhter, Mohammed Salim; Iqbal, Javed; Al-Buriahi, M. S.; Alomairy, Sultan; Alrowaili, Z. A. (2022)

This research project centralized modeling and DFT analysis of reference (BTTR) and intended chromophores (BTTM1-BTTM5) based on benzotrithiophene (BTT) core to render them as economic competitors for solar cells. Substantial ...
Simultaneously enhanced efficiency of eco-friendly structural characterization of the dithienocyclopentacarbazole donor based acceptors with narrow bandgap for high-performance organic solar cells

Ans, Muhammad; Ayub, Ahtsham; Alwadai, Norah; Rasool, Alvina; Zahid, Muhammad; Iqbal, Javed; Al-Buriahi, M. S. (2022)

In the present age, researchers are trying to overcome the energy crisis and the global demand for energy by developing organic solar cells (OSCs) of higher efficacy. Herein, we have developed five new acceptor molecules ...