Abstract
In this study, the spectrophotometric analysis was applied to check the optical properties of undoped [LO]
TF
and doped
Luminol
films with titanium oxide nanoparticles thin films [LO/TiO
2
]
TF
. The preparation conditions such as monomer concentration of [LO], molar ratio, and the conditions of PVD technique with basic pressure of the chamber was 5 × 10
–5
mbar were optimized to obtain homogeneous and good-quality [LO/TiO
2
]
TF
. The nano-spherical composite [LO/TiO
2
]
TF
thin film is studied using different techniques, including FT-IR, SEM, XRD, X-ray Photoelectron Spectroscopy (XPS), and UV–visible measurements. The density functional theory (DFT-TDDFT) by
DMol
3
,
CASTEP
,
and Gaussian 09w/DFT calculations
was used for the optimization of undoped and doped
Luminol
films with titanium oxide nanoparticles thin films [LO/TiO
2
]
TF
as an isolated molecule. The resulting luminol/TiO
2
composite thin-film nanocrystalline with a Triclinic crystal structure and an average crystallite size of 87.30 nm was determined using XRD data. The average particle size, as determined by SEM, was 275 nm. This indicates to exitance of the agglomeration between the particles. The maximum absorption bands of the [LO/TiO
2
]TF thin film were located at 288 nm, 389, and 488 nm. The direct and indirect energy for LO thin film was found to be 3.34 eV and 2.78 eV respectively. However, the novel thin film of [LO/TiO
2
]
TF
nano-spherical composite decreased to 2.78 eV and 3.62 eV.
Gaussian program
is in good agreement with the experimental analyses of FT-IR, molecular electrostatic potential (MEP), and UV–Vis optical characteristics. The undoped and doped
Luminol
films with titanium oxide nanoparticles thin films [LO/TiO
2
]
TF
are alternatives for optoelectronics and solar cell devices. The power conversion efficiency generated by the considered device under one-sun circumstances was detected and found to be 9.077%.