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HIND AHMED and AHMED HASHIM

Exploring the Structure, Optical and Electronic Properties of New PVA–PEO–Ba–Si3N4 Structures for Electronics Applications
699–711 (2024)

PACS numbers: 31.15.es, 76.60.Pc, 77.22.Ej, 78.30.-j, 78.40.-q, 81.05.Zx, 82.35.Np

The present work aims to design the new PVA–PEO–Ba–Si3N4 structures to use them in various optoelectronics nanodevices. The structural, thermal, optical and electronic characteristics of PVA–PEO–Ba–Si3N4 structures are studied. The structure of PVA–PEO–Ba–Si3N4 is analysed by GaussView 5.0.8 and relaxed using the Gaussian 09 package of programs employing the density functional theory (DFT) with the B3LYP/LanL2DZ level. The studied characteristics of PVA–PEO–Ba–Si3N4 structures include the energy, ionization potentials, energy gap, and electron affinity. The PVA–PEO–Ba-Si3N4 structures are optimized successfully with the Gaussian 09 package. The results show that the PVA–PEO–Ba–Si3N4 structures have good optical and electronic properties. In addition, the PVA–PEO–Ba–Si3N4 nanostructures have wide absorption spectrum that makes the PVA–PEO–Ba–Si3N4 structures suitable in various electronics devices like transistors, photovoltaic cell, sensors and other devices

KEY WORDS: polymer blend, Si3N4, optical properties, Gaussian 09, electronics devices

DOI:  https://doi.org/10.15407/nnn.22.03.699

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