Abstract
Abstract: Quantum chemical calculations were performed by using Density functional theory (DFT) to understand the hole transport properties of the novel Triphenylamine-Aminoanthraquinone azomethine compound, (E)-N-(4- (diphenylamino)benzylidene)-9,10-dihydro-9,10-dimethyleneanthracen-2-amine (C3). The theoretically calculated energy levels of the compound were well matched with the other layers of the perovskite sensitized solar cells to fit as hole transport material in perovskite sensitized solar cells. The results suggest that this compound can be considered as a promising hole transport material for perovskite sensitized solar cells.
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