Rahadian Zainul, Ali Basem, Aiham O. Altayeh, Nitin Kumar, Rohit Sharma, Mohammed Al-Bahrani, Sondos Abdullah Alqarni, Saiful Islam, Anupam Yadav
In order to adjust electrochemical and optical attributes that impact performance of dye-sensitized solar cells (DSSCs), photosensitizer has a critical role. Hence, it must meet crucial needs for effective operation of dye-sensitized solar cells. Present work suggests quinoline (QNL) as a photosensitizer by modifying its attributes via hybridization accompanied by N-doped graphene quantum dots (NGQDs). In order to study electronic, optical, geometric attributes, density functional theory (DFT) and its time-dependent approach have been employed. In order to prove validity of chosen basis set and functional, available experimental data of parent QNL has been applied. Energy gap (Eg) of QNL has been considerably narrowed via hybridization. Hence, its absorption has been altered from ultraviolet range to visible range that corresponds to solar spectra. Furthermore, an increment of absorption intensity resulted in high light-harvesting efficiency (LHE) that can enhance generation of electrical current. Redox potential and conduction band have been suitably matched with energy levels of created dye nanocomposites, demonstrating possibility of electron regeneration and injection. Noted traits validate that described substances display appealing features, making them potentially suitable for use in DSSCs. © 2024 Elsevier B.V.
Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Indonesia; Center for Advanced Material Processing, Artificial Intelligence, and Biophysics Informatics (CAMPBIOTICS), Universitas Negeri Padang, Indonesia; Faculty of Engineering, Warith Al-Anbiyaa University, Karbala, 56001, Iraq; Department of Petroleum Engineering, Al-Amarah University College, Maysan, Iraq; Department of Physics, School of Sciences, Jain (Deemed-to-be) University, Karnataka, Bengaluru, 560069, India; Department of Sciences, Vivekananda Global University, Rajasthan, Jaipur, 303012, India; School of Engineering and Technology, Shobhit University, Uttar Pradesh, Gangoh, 247341, India; Department of Mechanical Engineering, Arka Jain University, Jharkhand, Jamshedpur, 831001, India; Chemical Engineering and Petroleum Industries Department, Al-Mustaqbal University, Babylon, 51001, Iraq; Department of Electrical Engineering, King Khalid University, Abha, Saudi Arabia; Civil Engineering Department, College of Engineering, King Khalid University, Abha, Saudi Arabia; Department of CEA, GLA University, Mathura, 281406, India; Research Fellow, INTI International University, Negeri Sembilan, Nilai, 71800, Malaysia; Professor Fellow, Superior University, Lahore, Pakistan
