title: Highly efficient donor-acceptor hydrazone dyes-inorganic Si/TiO₂ hybrid solar cells.
abstract: We have synthesized the two donor-bridge-acceptor organic dyes (hydrazone dye 1 (HD1) and hydrazone dye 2 (HD2)) with the aim to enhance intra-molecular charge transfer then characterized by FTIR and NMR. The ground state geometries have been optimized at three different levels of theories, i.e., B3LYP/6-31G, B3LYP/6-31G and Hartee-Fock HF/6-31G. The absorption spectra and oscillator strengths in different solvents have been computed and compared with the experimental data. The vibrational spectral assignments have been performed on the recorded FTIR spectra based on the theoretical predicted wavenumbers at three different levels of theories. The effect of different solvents (CHCl3, CH3CN and C2H5OH) has been studied on the absorption wavelengths. Furthermore, we have computed the ionization potentials, electron affinities and reorganization energies of studied compounds and shed light on the charge transport properties. The hetero-junction solar cell devices were fabricated by organic-inorganic hetero-junction (Si/TiO2/dye) then the efficiency has been measured by applying the incident power 30, 50 and 70 mW/cm(2). The maximum efficiency 3.12% has been observed for HD1.
authors.affiliation: Department of Chemistry, Faculty of Science, King Khalid University, P.O. Box 9004, Abha 61413, Saudi Arabia; Unit of Science and Technology, Faculty of Science, King Khalid University, P.O. Box 9004, Abha 61413, Saudi Arabia; Research Center for Advanced Materials Science, King Khalid University, P.O. Box 9004, Abha 61413, Saudi Arabia. Electronic address: agmasq@gmail.com.
authors.forename: Abdullah G
authors.initials: AG
authors.lastname: Al-Sehemi
authors.affiliation: Department of Chemistry, Faculty of Science, King Khalid University, P.O. Box 9004, Abha 61413, Saudi Arabia. Electronic address: irfaahmad@gmail.com.
authors.forename: Ahmad
authors.initials: A
authors.lastname: Irfan
authors.affiliation: Department of Chemistry, Faculty of Science, King Khalid University, P.O. Box 9004, Abha 61413, Saudi Arabia.
authors.forename: Mohrah Abdullah M
authors.initials: MAM
authors.lastname: Al-Melfi
mesh_terms: D004396:Coloring Agents / Q000737:chemistry*; D004583:Electrons; D006835:Hydrazones / Q000737:chemistry*; D012825:Silicon / Q000737:chemistry*; D012993:Solar Energy; D012997:Solvents / Q000737:chemistry; D017550:Spectroscopy, Fourier Transform Infrared; D013816:Thermodynamics; D014025:Titanium / Q000737:chemistry*
chemical_list: D004396:Coloring Agents; D006835:Hydrazones; D012997:Solvents; C009495:titanium dioxide; D014025:Titanium; D012825:Silicon
keywords: Efficiency: density functional theory; Fabrication; Hydrazones; Organic–inorganic hybrid solar cells