Electronic and thermal properties of hybridized and nanostructured forms of SnSe.

ABSTRACT: We theoretically examine the physical properties such as electrical, structural and particularly thermoelectrical features of nanostructured and hybridized forms of tin selenide (SnSe) with selected materials by using first-principles calculation via density functional theory and semi-classic Boltzmann Transport Theory. The energy band structure and projected density of states are studied in detail. The electronic transport coefficients are then calculated within the assumption of the constant relaxation time as applied in BoltzTraP code. This study is extended to calculate the thermoelectric performance of CsPbI₃ with various number of layers. Our calculations show that both nanostructured and hybrid forms of SnSe (SnSe-hBN and SnSe-CsPbI₃) have the highest value of

SUBMITTER: Gulmen M 

PROVIDER: S-EPMC12780065 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature