DFT-Computational Modeling and TiberCAD Frameworks for Photovoltaic Performance Investigation of Copper-Based 2D Hybrid Perovskite Solar Absorbers.

In this work, we use a combination of dispersion-corrected density functional theory (DFT-D3) and the TiberCAD framework for the first time to investigate a newly designed and synthesized class of (CHN)[CuCl] 2D-type perovskite. The inter- and intra-atomic reorganization in the crystal packing and the type of interaction forming in the active area have been discussed via Hirshfeld surface (HS) analyses. A distinct charge transfer from CuCl to [CHN] is identified by frontier molecular orbitals (FMOs) and density of states (DOS).

Numerical Modeling of the Electronic and Electrical Characteristics of InGaN/GaN-MQW Solar Cells.

In this paper, a numerical model allows to analyze the photovoltaic parameters according to the electronic properties of InGaN/GaN MQW solar cells under the effect of temperature, the number of quantum wells and indium composition. The numerical investigation starts from the evaluation through the finite difference (FDM) simulation of the self-consistent method coupled with the photovoltaic parameters taking into account the effects of the spontaneous and piezoelectric polarization. The results found were consistent with the literature.