| Autor: |
Ans M; Department of Chemistry, University of Agriculture Faisalabad, 38000, Faisalabad, Pakistan., Iqbal J; Department of Chemistry, University of Agriculture Faisalabad, 38000, Faisalabad, Pakistan. javedkhattak79@gmail.com.; Punjab Bio-energy Institute, University of Agriculture, 38040, Faisalabad, Pakistan. javedkhattak79@gmail.com., Eliasson B; Department of Chemistry, Umeå University, SE-901 87, Umeå, Sweden., Saif MJ; Department of Applied Chemistry, Government College University, Faisalabad, Pakistan., Javed HMA; Department of Physics, University of Agriculture Faisalabad, 38000, Faisalabad, Pakistan., Ayub K; Department of Chemistry, COMSAT University Islamabad, Abbottabad Campus, 22060, Abbottabad, KPK, Pakistan. |
| Abstrakt: |
The design and fabrication of solar cells have recently witnessed the exploration of non-fullerene-based acceptor molecules for higher efficiency. In this study, the optical and electronic properties of four new three-dimensional (3D) star-shaped acceptor molecules (M1, M2, M3, and M4) are evaluated for use as acceptor molecules in organic solar cells. These molecules contain a triphenylamine donor core with diketopyrrolopyrrole acceptor arms linked via a thiophene bridge unit. Molecules M1-M4 are characterized by different end-capped acceptor moieties, including 2-(5-methylene-6-oxo-5,6-dihydrocyclopenta-b-thiophen-4-ylidene)malononitrile (M1), 2-(2-methylene-3-oxo-2,3-dihydroinden-1-ylidene)malononitrile (M2), 2-(5-methyl-2-methylene-3-oxo-2,3-dihydroinden-1-ylidene)malononitrile (M3), and 3-methyl-5-methylnene-thioxothiazolidin-4-one (M4). The properties of the newly designed molecules were compared with a well-known reference compound R, which was recently reported as an excellent acceptor molecule for organic solar cells. Molecules M1-M4 exhibit suitable frontier molecular orbital patterns for charge mobility. M2 shows maximum absorption (λ max ) at 846.8 nm in dichloromethane solvent, which is ideal for the design of transparent solar cells. A strong electron withdrawing end-capped acceptor causes a red shift in absorption spectra. All molecules are excellent for hole mobility due to a lower value of λ h compared to the reference R. Graphical abstract Here, we have designed four new triphenylamine-based three-dimensional star-shaped electron acceptors with different electron withdrawing end-capped acceptor moieties, namely M1, M2, M3, and M4) for opto-electronic properties of organic solar cells. The designed star-shaped acceptor molecules show excellent optoelectronic properties with respect to reference compound R. |
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