Optoelectronic and surface properties of CuO clusters: thin film solar cell

Roy, Avishek; Majumdar, Abhijit

doi:10.1007/s10854-021-07165-x

Cited by 2 publications

(1 citation statement)

References 47 publications

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“…Semiconductor oxides, with a wider bandgap, large exciton energy, and outstanding optical properties, are supposed to be prominent candidates in developing optoelectronic and photovoltaic devices [1][2][3]. ZnO is one of the most efficient semiconductor oxide materials found as a zincite mineral in wurtzite form, and it possesses a hexagonal crystal arrangement [4,5].…”

Section: Introductionmentioning

confidence: 99%

DFT Investigation of the Structural, Electronic, and Optical Properties of AsTi (Bi)-Phase ZnO under Pressure for Optoelectronic Applications

Adnan,

Wang,

Sohu

et al. 2023

Materials

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Pressure-induced phases of ZnO have attracted considerable attention owing to their excellent electronic and optical properties. This study provides a vital insight into the electronic structure, optical characteristics, and structural properties of the AsTi (Bi) phase of ZnO under high pressure via the DFT-based first-principles approach. The phase transformation from BN(Bk) to the Bi phase of ZnO is estimated at 16.1 GPa using local density approximation, whereas the properties are explored precisely by the hybrid functional B3LYP. The electronic structure exploration confirms that the Bi phase is an insulator with a wider direct bandgap, which expands by increasing pressure. The dielectric function evidenced that the Bi phase behaves as a dielectric in the visible region and a metallic material at 18 eV. Optical features such as the refractive index and loss function revealed the transparent nature of the Bi phase in the UV range. Moreover, the considered Bi phase is found to possess a high absorption coefficient in the ultraviolet region. This research provides strong theoretical support for the development of Bi-phase ZnO-based optoelectronic and photovoltaic devices.

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