Gulomov Jasurbek, Accouche Oussama, Al Barakeh Zaher, Aliev Rayimjon, Gulomova Irodakhon, Neji Bilel
Renewable Energy Sources Laboratory, Andijan State University, Andijan 170100, Uzbekistan.
College of Engineering and Technology, American University of the Middle East, Egaila 54200, Kuwait.
Nanomaterials (Basel). 2022 Nov 28;12(23):4240. doi: 10.3390/nano12234240.
Metal oxides are commonly used in optoelectronic devices due to their transparency and excellent electrical conductivity. Based on its physical properties, each metal oxide serves as the foundation for a unique device. In this study, we opt to determine and assess the physical properties of MoO metal oxide. Accordingly, the optical and electronic parameters of MoO are evaluated using DFT (Density Functional Theory), and PBE and HSE06 functionals were mainly used in the calculation. It was found that the band structure of MoO calculated using PBE and HSE06 exhibited indirect semiconductor properties with the same line quality. Its band gap was 3.027 eV in HSE06 and 2.12 eV in PBE. Electrons and holes had effective masses and mobilities of 0.06673, -0.10084, 3811.11 cmVs and 1630.39 cmVs, respectively. In addition, the simulation determined the dependence of the real and imaginary components of the complex refractive index and permittivity of MoO on the wavelength of light, and a value of 58 corresponds to the relative permittivity. MoO has a refractive index of between 1.5 and 3 in the visible spectrum, which can therefore be used as an anti-reflection layer for solar cells made from silicon. In addition, based on the semiconducting properties of MoO, it was estimated that it could serve as an emitter layer for a solar cell containing silicon. In this work, we calculated the photoelectric parameters of the MoO3/Si heterojunction solar cell using Sentaurus TCAD (Technology Computing Aided Design). According to the obtained results, the efficiency of the MoO/Si solar cell with a MoO layer thickness of 100 nm and a Si layer thickness of 9 nm is 8.8%, which is 1.24% greater than the efficiency of a homojunction silicon-based solar cell of the same size. The greatest short-circuit current for a MoO/Si heterojunction solar cell was observed at a MoO layer thickness of 60 nm, which was determined by studying the dependency of the heterojunction short-circuit current on the thickness of the MoO layer.
金属氧化物因其透明度和优异的导电性而常用于光电器件中。基于其物理性质，每种金属氧化物都是独特器件的基础。在本研究中，我们选择确定和评估MoO金属氧化物的物理性质。因此，使用密度泛函理论（DFT）评估MoO的光学和电子参数，计算中主要使用了PBE和HSE06泛函。结果发现，使用PBE和HSE06计算得到的MoO能带结构表现出相同线性质量的间接半导体性质。其在HSE06中的带隙为3.027 eV，在PBE中为2.12 eV。电子和空穴的有效质量和迁移率分别为0.06673、-0.10084、3811.11 cm²V⁻¹s⁻¹和1630.39 cm²V⁻¹s⁻¹。此外，模拟确定了MoO复折射率和介电常数的实部和虚部对光波长的依赖性，相对介电常数的值为58。MoO在可见光谱中的折射率在1.5到3之间，因此可作为硅基太阳能电池的抗反射层。此外，基于MoO的半导体性质，估计它可作为含硅太阳能电池的发射极层。在这项工作中，我们使用Sentaurus TCAD（技术计算机辅助设计）计算了MoO₃/Si异质结太阳能电池的光电参数。根据所得结果，MoO层厚度为100 nm、Si层厚度为9 nm的MoO/Si太阳能电池效率为8.8%，比相同尺寸的同质结硅基太阳能电池效率高1.24%。通过研究异质结短路电流对MoO层厚度的依赖性，发现MoO/Si异质结太阳能电池在MoO层厚度为60 nm时短路电流最大。
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