Fundamental Materials Simulation and Experimental Research for Solar Cells and Industrial Applications

A special issue of Processes (ISSN 2227-9717). This special issue belongs to the section "Materials Processes".

Deadline for manuscript submissions: 10 December 2025 | Viewed by 522

Special Issue Editors


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Guest Editor
Department of Chemistry, Fort Hare Institute of Technology, University of Fort Hare, Alice 5700, South Africa
Interests: nanostructure; solar cells; renewable energy; inorganic chemistry and analytical chemistry

E-Mail Website
Guest Editor
Fort Hare Institute of Technology, University of Fort Hare, Alice 5700, South Africa
Interests: numerical simulation; solar cell fabrications; nanomaterials; density functional theory; photocatalysis; sensing

E-Mail Website
Guest Editor
Department of Chemical and Earth Sciences, University of Fort Hare, Alice 5700, South Africa
Interests: nanomaterials; photocatalysis; metal complexes

Special Issue Information

Dear Colleagues,

Environmental and energy crises are the main concerns on the list of global challenges, due to the rapid industrial development and the dependence on fossil fuels to meet the demands for electricity. The adoption of renewable energy sources as a replacement for fossil fuels serves as a binary solution to the environmental pollution and energy crises. Therefore, the need for alternative, sustainable, clean energy resources that are cost-friendly, easy to fabricate, and have high conversion efficiency is of urgent priority to researchers. Solar energy is non-exhaustible and abundantly available, with better power conversion efficiency compared to other renewable sources of energy. Many scientists have devoted their studies to new tailoring materials to enhance the efficiency of solar cell devices such as dye-sensitized solar cells, quantum dot solar cells, and perovskite solar cells. Material modeling and simulation down to the fabrication and applications of new materials are of great importance to the scalable production of photovoltaic models.

This Special Issue, titled “Fundamental Materials Simulation and Experimental Research for Solar Cells and Industrial Applications”, will showcase innovative developments in research, modeling, and simulation as a crucial element in customizing materials for solar cell devices.

Topics include, but are not limited to, the following:

  • Numerical simulation of solar cell devices and density function theory (DFT) calculations of various models/materials for optoelectronic applications;
  • Synthesis of nanomaterials, semiconductor quantum dots, and material coating/passivation;
  • Fabrication/Assembling of solar devices, DSSCs, QDSCs, and Perovskite solar cells.

We look forward to receiving your contributions to this Special Issue.

Sincerely,

Dr. Mojeed Adedoyin Agoro
Dr. Nicholas Rono
Dr. Athandwe Paca
Guest Editors

Manuscript Submission Information

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Keywords

  • nanomaterials
  • DFT
  • photovoltaic
  • nanomaterials for energy
  • nanomaterial applications
  • electrochemical
  • passivation
  • thin films and semiconductors
  • inorganic chemistry
  • computational materials and applications

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Published Papers (1 paper)

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Research

12 pages, 1417 KB  
Article
Controlling the Concentration of Copper Sulfide Doped with Silver Metal Nanoparticles as a Mechanism to Improve Photon Harvesting in Polymer Solar Cells
by Jude N. Ike, Xhamla Nqoro, Genene Tessema Mola and Raymond Tichaona Taziwa
Processes 2025, 13(9), 2922; https://doi.org/10.3390/pr13092922 - 13 Sep 2025
Viewed by 417
Abstract
The development of thin-film organic solar cells (TFOSCs) is pivotal for advancing sustainable energy technologies because of their potential for low-cost, lightweight, and flexible photovoltaic applications. In this study, silver-doped copper sulfide (CuS/Ag) metal nanoparticles (MNPs) were successfully synthesized via a wet chemical [...] Read more.
The development of thin-film organic solar cells (TFOSCs) is pivotal for advancing sustainable energy technologies because of their potential for low-cost, lightweight, and flexible photovoltaic applications. In this study, silver-doped copper sulfide (CuS/Ag) metal nanoparticles (MNPs) were successfully synthesized via a wet chemical method. These CuS/Ag MNPs were incorporated at varying concentrations into a poly(3-hexylthiophene) (P3HT) and [6,6]-phenyl-C61-butyric acid methyl ester (PC61BM) blend, serving as the active layer to enhance the photovoltaic performance of the TFOSCs. The fabricated TFOSC devices were systematically evaluated based on the optical, electrical, and morphological characteristics of the active layer. By varying the concentration of CuS/Ag MNPs, the influence of nanoparticle doping on photocurrent generation was investigated. The device incorporating 1% CuS/Ag MNPs exhibited the highest power conversion efficiency (PCE) of 5.28%, significantly outperforming the pristine reference device, which achieved a PCE of 2.53%. This enhancement is attributed to the localized surface plasmon resonance (LSPR), which augments charge transport and increases optical absorption. The CuS/Ag MNPs were characterized using ultraviolet–visible (UV-Vis) absorption spectroscopy, transmission electron microscopy (TEM), scanning electron microscopy (SEM), and energy-dispersive dispersion (EDX) analysis. These findings underscore the potential of CuS/Ag MNPs in revolutionizing TFOSCs, paving the way for more efficient and sustainable solar energy solutions. Full article
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