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Probing of Optoelectronic and Transport Properties of Zinc Based ZnY2X4 (X = S, Se) Spinels for Renewable Energy
ECS Journal of Solid State Science and Technology ( IF 1.8 ) Pub Date : 2020-10-05 , DOI: 10.1149/2162-8777/abbb70
Thamraa Alshahrani 1 , Ghulam M. Mustafa 2 , Tahani H. Flemban 3, 4 , Hind Althib 3, 4 , Samah Al-Qaisi 5 , Nessrin A. Kattan 6 , Q. Mahmood 3, 4
Affiliation  

The spinels chalcogenide are emerging materials for solar cells and other renewable energy applications. we have elaborated the electronic and optical properties of ZnY2(S/Se)4 by modified Becke and Johnson potential. The computed band gaps 1.66 eV and 1.10 eV correspond to visible region which increase their significance for solar cells. The optical properties are elaborated by dielectric constants, refractive index, and absorption coefficient. Furthermore, the thermoelectric properties are depicted by BoltzTraP code in terms of thermal conductivity to electrical conductivity ratio, Seebeck coefficient and figure of merit. Finally, two important ratios (i.e. Pugh’s (B/G > 1.75) and Poisson (υ > 0.26) described the brittle nature of ZnY2S4 and ductile nature of ZnY2Se4 spinels. The large value of Debye and melting temperature is reported for ZnY2S4 than ZnY2Se4.



中文翻译:

用于可再生能源的锌基 ZnY 2 X 4 (X = S, Se) 尖晶石的光电和传输特性研究

尖晶石硫属化物是太阳能电池和其他可再生能源应用的新兴材料。我们通过修正的贝克和约翰逊势详细阐述了 ZnY 2 (S/Se) 4的电子和光学性质。计算出的带隙 1.66 eV 和 1.10 eV 对应于可见光区域,这增加了它们对太阳能电池的重要性。光学特性由介电常数、折射率和吸收系数详细说明。此外,热电特性由 BoltzTraP 代码根据热导率与电导率之比、塞贝克系数和品质因数进行描述。最后,两个重要的比率(即 Pugh's (B/G > 1.75) 和 Poisson ( υ > 0.26))描述了 ZnY 2的脆性S 4和ZnY 2 Se 4尖晶石的延展性。据报道,ZnY 2 S 4的德拜值和熔化温度比ZnY 2 Se 4 大

更新日期:2020-10-05
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