Impact of thickness on optoelectronic properties of α-MoO3 film photodetectors
Integrating first-principles calculations with experimental analysis
Mohamed A. Basyooni (Selçuk University)
Mohamed Achehboune (Namur Institute of Structured Matter)
Issam Boukhoubza (National Institute of Materials Physics)
A. E.H. Gaballah (National Institute of Standards (NIS))
Mohammed Tihtih (University of Miskolc)
Walid Belaid (Selçuk University)
Redouane En-nadir (University Sidi Mohammed Ben Abdellah)
Issam Derkaoui (University Sidi Mohammed Ben Abdellah)
Ahmed M. Abdelbar (Al-Azhar University)
Shrouk E. Zaki (National Research Center)
Şule Ateş (Selçuk University)
Yasin Ramazan Eker (Necmettin Erbakan University)
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Abstract
This study focused on investigating the optoelectronic properties of molybdenum trioxide (α-MoO3) thin films using the atomic layer deposition (ALD) technique through different cycle numbers and theoretical investigation. Initial band gap calculations using standard DFT with GGA-PBE resulted in a value of 1.19 eV, which deviated significantly from experimental measurements. The GGA + U method with Hubbard U corrections was applied for the first time to improve the accuracy. This refinement led to a more precise band gap value of 3.09 eV, closely matching previously reported experimental data. The electronic parameters of the α-MoO3 photodetector, such as ideality factor (n), barrier height (Φ0), and series resistance (Rs), were analyzed using the thermionic emission theory and confirmed by Cheung and Nord's methods. The results demonstrated that the sample deposited with 100 pulses exhibited higher photodetector performance under UV illumination, despite having a lower Rs.