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    Tuning the Optoelectronic Properties of Perylene Diimide for Advanced Organic Photovoltaic
    (2026-02-01)
    Ayub, Ali Raza
    ;
    Sabir, Muhammad Zohaib
    ;
    Salba
    ;
    Yaqoob, Umer
    ;
    Nabat, Karim Youssef
    Organic solar cells (OSCs) are becoming more popular because they are cheap to make, flexible, and have a higher power conversion efficiency (PCE), which has gone up from 4.1% in 2010–25.21% in 2022. However, making the active layer materials’ electrical characteristics better is still a big problem when it comes to getting even more efficient. This research seeks to tackle this problem by creating and synthesizing a group of small molecules (PDI-1 to PDI-6) using a perylene diimide indacenodithiophene (PIDT) acceptor structure and adding different donor–acceptor connectors to improve charge transfer and light absorption.We tested their photovoltaic performance and compared it to that of a reference molecule (PDI-R). All synthesized molecules exhibit low bandgaps, higher dipole moments, and improved electron transfer properties. Among them, PDI-4, a donor–acceptor–donor (D–A–D) structured molecule with a thiophene bridge, demonstrated the best overall performance, showing enhanced π-delocalization and charge–transfer efficiency. These findings contribute to the broader goal of advancing the molecular design of active-layer materials for high-performance OSCs.
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    Investigating the optoelectronic properties of Perylene Diimide-based organic molecules for high-efficiency organic solar cells
    (2025-11-01)
    Ayub, Ali Raza
    ;
    Sabir, Muhammad Zohaib
    ;
    Salba
    ;
    Yaqoob, Umer
    ;
    Nabat, Karim Youssef
    Organic solar cells (OSCs) have garnered significant focus recently due to their highly efficient, low-cost manufacturing and capacity for energy conversion. Reports indicate a remarkable increase in OSC efficiency, rising from 4.1 % in 2010 to 25.21 % in 2022. However, the lack of suitable substances for hole transport remains a critical challenge in enhancing efficiency. In this context, a series of small molecules designated PDIM1, PDIM2, PDIM3, PDIM4, PDIM5, PDIM6, and PDIM7 have been developed, which serve as organic molecules. These molecules are based on PIDT donor structures incorporating acceptors directly at the center or with bridging units. The photovoltaic and optoelectronic properties of the molecules have been compared with the reference PDIR. All organic molecules exhibited lower energy gaps than the reference, enhanced electron density transfer, and high dipole moments. These findings facilitate the understanding of organic molecules' design methodologies for optimizing the electronic properties. This study establishes the potential for manufacturing high-efficiency OSCs using the PDIM4 molecules. The synthetic fabrication of these novel-designed molecules is required for researchers to advance PDI-based OSCs.
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    Rapid Detection of Perfluorooctanesulfonic Acid Using Surface-Enhanced Raman Spectroscopy and Deep Learning
    (2025-10-07)
    Juhong, Aniwat
    ;
    Li, Bo
    ;
    Liu, Yifan
    ;
    Yao, Cheng You
    ;
    Yang, Chia Wei
    Per- and polyfluoroalkyl substances (PFAS) are a large group of human-made chemicals that have been widely used in industry and consumer products. Perfluorooctanesulfonic acid (PFOS) is a ubiquitous type of PFAS, which is extremely stable chemicals that have been persistent in the environment for many years. The accumulation of PFOS in the human body can lead to various unfavorable health issues related to the immune, metabolic, and endocrine systems. The conventional PFOS detection method utilizes liquid chromatography coupled with a mass spectroscopy system that typically involves a lengthy and complex procedure. Herein, we propose to develop a low-cost and rapid test approach based on surface-enhanced Raman spectroscopy (SERS) and deep learning for PFOS detection. The gold nanoparticle SERS substrates utilized in this study can significantly enhance the Raman signal of PFOS in solution at a low concentration. PFOS detection and quantification in water using the SERS-based substrate are carried out by measuring Raman peak intensities of PFOS in solution at a range of low concentrations and comparing them to the signal of a blank SERS substrate background. The results show that the SERS substrate can achieve a detection limit as low as 0.0005 ppb. In addition, we propose a demultiplexing deep learning model, which can generate high signal-to-noise ratio (SNR) PFOS spectra from the noisy mixture of PFOS and background Raman spectra. Average cross-correlation and mean absolute error (MAE) are utilized to evaluate the similarity between the demultiplexed and denoised PFOS Raman spectra (output of deep learning) and their ground truths. The proposed model can achieve an encouraging result with high average cross-correlation and low average MAE of 0.9622 ± 0.0667 and 0.0034 ± 0.0024, respectively.
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    Potentials of mycorrhizal fungi in altering eight biomechanical properties of plant roots
    (2024-01-30)
    Chen, Xun Wen
    ;
    Kamchoom, Viroon
    ;
    Wu, Jiaqi
    ;
    Sun, Guodong
    ;
    Zhang, Qiang
    Arbuscular mycorrhizal (AM) fungi are ubiquitous and impactful symbionts of most land plants and can regulate essential ecological processes. AM fungi can increase the cellulose content of root cell walls and hence the root tensile strength of grass. How AM fungi can alter other essential biomechanical properties is not clear. This study aims to study the contribution of AM fungi in altering biomechanical properties by comparing mycorrhizal and non-mycorrhizal roots. We inoculated three fungal species to vetiver grass (Chrysopogon zizanioides) for comparison. Eight root biomechanical properties (i.e., yield strain, yield stress, break strain, tensile strength, Young's modulus, plastic modulus, plastic strain, and toughness) were determined for each root using a newly developed Fortran language-based program. Inoculating AM fungi decreased both Young's modulus and plastic modulus by 23% and 17%, respectively, versus control, although it was species-dependent. Yield stress was not significantly affected, but tensile strength was increased by 7%–17% upon fungal symbiosis. Together with the increases in break strain by 15%–20%, mycorrhizal roots possessed a notably higher toughness than non-mycorrhizal roots by up to 36%. Greater root cohesion of mycorrhizal roots confirmed the enhanced (1.5-fold) factor of safety in the soil-root system. Our findings imply that AM fungi are of significant interest in plant biomechanics and geotechnical engineering. Applying AM fungi on soil slopes has considerable potential to improve vegetation and stability of green slopes.