Electronic structure and Thermoelectric Properties of Hybrid Organic-Inorganic Perovskites [NH3-(CH2)3-COOH]2CdCl4
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Published:2021-12-15
Issue:4
Volume:22
Page:750-755
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ISSN:2309-8589
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Container-title:Physics and Chemistry of Solid State
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language:
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Short-container-title:Phys. Chem. Solid St.
Author:
Ouaaka Elmustafa,Kassou Said,Ettakni Mahmoud,Sayouri Salaheddine,Khmou Ahmed,Khechoubi El Mostafa
Abstract
In this work, we conducted the first principle calculation of electronic structure and transport properties of [NH3-(CH2)3-COOH]2CdCl4 (Acid-Cd). The generalized gradient approximation is used in structural optimization and electronic structure. The theoretical band gap value found is in good agreement with experimental. Electronic thermal conductivity, electrical conductivity, Seebeck coefficient (S) and figure of merit (ZT) have been calculated using semi-local Boltzmann theory to predict the thermoelectric characteristic of the studied materials.
Publisher
Vasyl Stefanyk Precarpathian National University
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,General Materials Science
Cited by
1 articles.
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