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Designed Monomers and Polymers Volume 24, 2021 - Issue 1
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Full Length Article

Theoretical design of low bandgap donor–acceptor (D-A) monomers for polymer solar cells: DFT and TD-DFT study

Said A.H. VuaiComputational Quantum Chemistry Lab, Department of Chemistry, College of Natural and Mathematical Sciences, The University of Dodoma, Dodoma, Tanzania
&
Numbury Surendra BabuComputational Quantum Chemistry Lab, Department of Chemistry, College of Natural and Mathematical Sciences, The University of Dodoma, Dodoma, TanzaniaCorrespondence[email protected]
Pages 125-137 | Received 10 Mar 2021, Accepted 21 Apr 2021, Published online: 05 May 2021

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Numbury Surendra Babu. (2021) Donor−acceptor−donor (D-A-D) structural monomers as donor materials in polymer solar cells: a DFT/TDDFT approach. Designed Monomers and Polymers 24:1, pages 330-342.
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Numbury Surendra Babu & Said A.H. Vuai. (2021) Theoretical studies of optoelectronic and photovoltaic properties of D–A polymer monomers by Density Functional Theory (DFT). Designed Monomers and Polymers 24:1, pages 226-239.
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Articles from other publishers (2)

Surendra Babu Numbury. (2022) Designing of small organic non-fullerene (NFAs) acceptor molecules with an A−D−A framework for high-performance organic solar cells: A DFT and TD-DFT method. Oxford Open Materials Science 2:1.
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Numbury Surendra Babu. (2022) Studies of New 2,7‐Carbazole (CB) Based Donor‐Acceptor‐Donor (D‐A‐D) Monomers as Possible Electron Donors in Polymer Solar Cells by DFT and TD‐DFT Methods. ChemistryOpen 11:2.
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