Ola Ragb¹, Mokhtar Mohamed², Mohamed S. Matbuly¹, Omer Civalek^3,*

CMES-Computer Modeling in Engineering & Sciences, Vol.137, No.3, pp. 2193-2217, 2023, DOI:10.32604/cmes.2023.028992 - 03 August 2023

Abstract Four numerical schemes are introduced for the analysis of photocurrent transients in organic photovoltaic devices. The mathematical model for organic polymer solar cells contains a nonlinear diffusion–reaction partial differential equation system with electrostatic convection attached to a kinetic ordinary differential equation. To solve the problem, Polynomial-based differential quadrature, Sinc, and Discrete singular convolution are combined with block marching techniques. These schemes are employed to reduce the problem to a nonlinear algebraic system. The iterative quadrature technique is used to solve the reduced problem. The obtained results agreed with the previous exact one and the finite More > Graphic Abstract

Daniel Dodzi Yao Setsoafia¹, Kiran Sreedhar Ram¹, Hooman Mehdizadeh-Rad^1,2, David Ompong^1,2, Vinuthaa Murthy^1,2, Jai Singh^1,2,*

Journal of Renewable Materials, Vol.10, No.10, pp. 2553-2567, 2022, DOI:10.32604/jrm.2022.020967 - 08 June 2022

Abstract DFT and TD-DFT calculations of HOMO and LUMO energies and photovoltaic properties are carried out on four selected pentathiophene donor and one IDIC-4F acceptor molecules using B3LYP and PBE0 functionals for the ground state energy calculations and CAM-B3LYP functional for the excited state calculations. The discrepancy between the calculated and experimental energies is reduced by correlating them with a linear fit. The fitted energies of HOMO and LUMO are used to calculate the V_oc of an OSC based on these donors and acceptor blend and compared with experimental values. Using the Scharber model the calculated PCE… More >