Computational investigation on the geometry and electronic structures and absorption spectra of metal-porphyrin-oligo- phenyleneethynylenes-[60] fullerene triads

•Influence of transition metals on the absorption properties of triad compounds was evaluated.•Structural and absorption analysis were performed by DFT/B3PW91-D3 and TD-ZINDO/S methods.•Various metals give different bridge conformations and HOMO-LUMO energy levels.•ZnP-C60-oligo-PPEs triad can meet the necessary conditions of the sensitizer of dye-sensitized solar cells (DSSCs) in comparison with other counterparts.