Modeling of the structural, optoelectronic, thermodynamic, dynamical stability, and the hydrogen storage density of CsSnX3 (X ​= ​O, S, Se and Te) perovskites

Modeling of the structural, optoelectronic, thermodynamic, dynamical stability, and the hydrogen storage density of CsSnX3 (X ​= ​O, S, Se and Te) perovskites

Based on density functional theory (DFT) approach, investigations on the structural, thermodynamic, electronic, optoelectronic, phonon, mechanical, and the hydrogen gravimetric storage density of CsSnX3 (X ​= ​O, S, Se and Te) perovskite systems is presented herein. While results of the computed lat...

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Bibliographic Details
Main Authors: Hitler Louis, Ernest C. Agwamba, Udochukwu G. Chukwu, Goodness J. Ogunwale, Thomas O. Magu, Adedapo S. Adeyinka
Format: Article
Language:English
Published: Elsevier 2023-12-01
Series:Chemistry of Inorganic Materials
Subjects:
Lead-free perovskite
DFT
Phonon
Optoelectronic
Thermodynamic
X-ray
Online Access:http://www.sciencedirect.com/science/article/pii/S2949746923000071

Internet

http://www.sciencedirect.com/science/article/pii/S2949746923000071

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