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Efficiency Probing of GaInP/GaInAs-Based Solar Cells through Synergy of Silicon, Zinc or Silver Elements: A First-Priciples Study  
Yazarlar (1)
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Dr. Öğr. Üyesi Fatemeh MOLLAAMIN
Kastamonu Üniversitesi, Türkiye
Devamını Göster
Özet
Abstract: Heteroclusters of (Si,Zn,Ag)-Doped GaInP/GaInAs can attract considerable attention for storage energy in solar cells. A comprehensive investigation on energy grabbing by GaInP, Si@GaInP, Zn@GaInP, Ag@GaInP, GaInAs, Si@GaInAs, Zn@GaInAs, Ag@GaInAs was carried out including using DFT computations at the CAM--B3LYP--D3/6-311+G(d, p) level of theory. Electromagnetic and thermodynamic properties of GaInP, Si@GaInP, Zn@GaInP, Ag@GaInP, GaInAs, Si@GaInAs, Zn@GaInAs, Ag@GaInAs heteroclusters have been evaluated. The hypothesis of the energy adsorption phenomenon was confirmed by density distributions of CDD, TDOS and ELF for GaInP, Si@GaInP, Zn@GaInP, Ag@GaInP, GaInAs, Si@GaInAs, Zn@GaInAs, Ag@GaInAs heteroclusters. In GaInP and GaInAs, the photo excited electrons and holes are strongly bounded by the excitons because of their large exciton binding energy as > > (X = P or As) due to its efficient exciton dissociation. Therefore, it can be considered that zinc and silver atoms in the functionalized Zn@GaInP/As and Ag@GaInP/As might have more impressive sensitivity for accepting the electrons in the process of energy adsorption mechanism. The changes of Gibbs free energy versus dipole moment could detect the maximum efficiency of Ag@GaInP and Ag@GaInAs heteroclusters for energy storage in the solar cells through = --134.9792 × 103 kcal/mol and = --132.1931 × 103 kcal/mol, respectively. As a matter of fact, it can be observed that doped heteroclusters of Ag@GaInX and Zn@GaInX (X = P or As) might ameliorate the capability of GaInX (X = P or As) in solar cells for energy storage.
Anahtar Kelimeler
energy saving | heterocluster | materials modeling | solar cells
Makale Türü Özgün Makale
Makale Alt Türü SCOPUS dergilerinde yayınlanan tam makale
Dergi Adı Russian Journal of Physical Chemistry B
Dergi ISSN 1990-7931 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SCI-Exp, SCOPUS, CCR Database, Chemistry Server Reaction Center, Curation, Current Contents Physical Chemical & Earth Sciences, Essential Science Indicators, Reaction Citation Index, Reference Master, Sophia
Makale Dili İngilizce
Basım Tarihi 10-2025
Cilt No 19
Sayı 5
Sayfalar 1222 / 1238
Doi Numarası 10.1134/S1990793125700915