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Journal of Fluorescence|October 4, 2025
Perylene Diimides (PDI) with Electronic Donor Core-Substituted Structures for Application of Solar Cell Materials by Theoretical Study (Showing PCE > 18.7%)Ali Raza Ayub, Sidra Rafiq, Umer Yaqoob, et al.Journal of Molecular Graphics & Modelling|June 21, 2025
Design of the opto-electronic characteristics of organo-solar cells using the small molecules based on UllazineZeeshana Bibi, Javed Iqbal, Ali Raza Ayub, et al.The Journal of Physical Chemistry. A|July 9, 2025
The Computational Study of Optoelectronic Properties of Perylene Diimide and Nucleotide Supramolecular Complex (GMP:PDI)Ali Raza Ayub, Karim Youssef Nabat, Salba, et al.Inorganic Chemistry|January 29, 2026
The Metal Coordination Effects on the Optoelectronic Properties of Perylene Diimide and Nucleotide Supramolecular Complex (GMP:PDI: Ag(I)/Co(II)/Zn(II)): Computational and Experimental StudiesAli Raza Ayub, Salba, Muhammad Zeshan, et al.RSC Advances|April 15, 2022
Controlled supramolecular interaction to enhance the bioavailability of hesperetin to targeted cancer cells through graphyne: a comprehensive in silico studyMaroof Ahmad Khan, Javed Iqbal, Mubashar Ilyas, et al.Journal of Molecular Graphics & Modelling|March 19, 2026
A theoretical investigation reveals that pyrazylene-doped grephene oxide nanosheets have remarkable stability and nonlinear optical responseAli Raza Ayub, Naeem Afzal, Salba, et al.Journal of Molecular Graphics & Modelling|January 25, 2026
Significantly improved optoelectronic properties of WWC-103 engineered for efficient perovskite solar cells: A DFT approachUmer Yaqoob, Sidra Rafiq, Muhammad Zohaib Sabir, et al.Journal of Molecular Graphics & Modelling|April 22, 2021
Tuning the optoelectronic properties of oligothienyl silane derivatives and their photovoltaic propertiesRubab Sikandar, Afifa Farhat, Rasheed Ahmad Khera, et al.ACS Omega|June 12, 2023
Synthesis and Characterization of a Tertiary Composite of Cu, Mn, and g-C3N4: An Efficient Visible Light-Active Catalyst for Wastewater TreatmentAli Raza Ayub, Asmat Ullah, Faisal Nawaz, et al.Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|March 31, 2026
A computational study of perylene diimide as a potential nanocarrier for multiple drugs: adsorption, stability and release mechanismsAli Raza Ayub, Salba, Muhammad Zohaib Sabir, et al.Pageof 3