Matches in SemOpenAlex for { <https://semopenalex.org/work/W4387244672> ?p ?o ?g. }
Showing items 1 to 69 of
69
with 100 items per page.
- W4387244672 abstract "Abstract First principles calculations are carried out to explore structural, elastic, electronic, charge density and thermoelectric properties of TlZnX3 (X= F, Cl, Br and I) 3D halide cubic perovskites within the Generalized Gradient Approximation (GGA) through Quantum Espresso code. The elastic coefficients (C11, C12 and C44) and elastic modulii such as Young's modulus, bulk modulus, shear modulus reveals that stiffness is higher in TlZnF3. Additionally using Pugh’s ratio and Cauchy’s pressure TlZnF3 is classified as ductile whereas TlZnX3 (X= Cl, Br and I) are classified as brittle materials. Phonon dispersion curve proves the dynamic stability of TlZnF3. The band structures of TlZnX3 (X= F, Cl and Br) and TlZnI3 shows semiconducting and metallic nature respectively. Due to replacement of halide ion the indirect band gap of TlZnX3 (X= F, Cl and Br) decreases from 3.82 eV, 1.39 eV and 0.37 eV as the size of the anion increases. Using the Boltztrap code, thermoelectric parameters are analysed at temperatures of 400 K, 600 K and 800 K and chemical potential provides insight about optimal dopant. Large Seebeck Coefficient combined with ultra low thermal conductivity results in a high figure of merit for TlZnF3 that satisfies industry standards (ZT≈1). Together, these outcomes highlights that these Thallium based halide perovskite are reliable materials for high temperature thermoelectric devices.
" @default.
- W4387244672 created "2023-10-03" @default.
- W4387244672 creator A5004766079 @default.
- W4387244672 creator A5049022813 @default.
- W4387244672 date "2023-10-02" @default.
- W4387244672 modified "2023-10-03" @default.
- W4387244672 title "A systemic study on thalium based 3D halide perovskite with enhanced figure of merit" @default.
- W4387244672 doi "https://doi.org/10.1088/1402-4896/acff4c" @default.
- W4387244672 hasPublicationYear "2023" @default.
- W4387244672 type Work @default.
- W4387244672 citedByCount "0" @default.
- W4387244672 crossrefType "journal-article" @default.
- W4387244672 hasAuthorship W4387244672A5004766079 @default.
- W4387244672 hasAuthorship W4387244672A5049022813 @default.
- W4387244672 hasConcept C112625512 @default.
- W4387244672 hasConcept C121332964 @default.
- W4387244672 hasConcept C130277099 @default.
- W4387244672 hasConcept C155011858 @default.
- W4387244672 hasConcept C159985019 @default.
- W4387244672 hasConcept C171560689 @default.
- W4387244672 hasConcept C179104552 @default.
- W4387244672 hasConcept C181966813 @default.
- W4387244672 hasConcept C185592680 @default.
- W4387244672 hasConcept C192562407 @default.
- W4387244672 hasConcept C26873012 @default.
- W4387244672 hasConcept C41279357 @default.
- W4387244672 hasConcept C43486711 @default.
- W4387244672 hasConcept C49040817 @default.
- W4387244672 hasConcept C63024428 @default.
- W4387244672 hasConcept C8010536 @default.
- W4387244672 hasConcept C94406020 @default.
- W4387244672 hasConcept C97346530 @default.
- W4387244672 hasConcept C97355855 @default.
- W4387244672 hasConceptScore W4387244672C112625512 @default.
- W4387244672 hasConceptScore W4387244672C121332964 @default.
- W4387244672 hasConceptScore W4387244672C130277099 @default.
- W4387244672 hasConceptScore W4387244672C155011858 @default.
- W4387244672 hasConceptScore W4387244672C159985019 @default.
- W4387244672 hasConceptScore W4387244672C171560689 @default.
- W4387244672 hasConceptScore W4387244672C179104552 @default.
- W4387244672 hasConceptScore W4387244672C181966813 @default.
- W4387244672 hasConceptScore W4387244672C185592680 @default.
- W4387244672 hasConceptScore W4387244672C192562407 @default.
- W4387244672 hasConceptScore W4387244672C26873012 @default.
- W4387244672 hasConceptScore W4387244672C41279357 @default.
- W4387244672 hasConceptScore W4387244672C43486711 @default.
- W4387244672 hasConceptScore W4387244672C49040817 @default.
- W4387244672 hasConceptScore W4387244672C63024428 @default.
- W4387244672 hasConceptScore W4387244672C8010536 @default.
- W4387244672 hasConceptScore W4387244672C94406020 @default.
- W4387244672 hasConceptScore W4387244672C97346530 @default.
- W4387244672 hasConceptScore W4387244672C97355855 @default.
- W4387244672 hasFunder F4320323425 @default.
- W4387244672 hasLocation W43872446721 @default.
- W4387244672 hasOpenAccess W4387244672 @default.
- W4387244672 hasPrimaryLocation W43872446721 @default.
- W4387244672 hasRelatedWork W1499322116 @default.
- W4387244672 hasRelatedWork W1978391609 @default.
- W4387244672 hasRelatedWork W1984954339 @default.
- W4387244672 hasRelatedWork W2482857684 @default.
- W4387244672 hasRelatedWork W2619072100 @default.
- W4387244672 hasRelatedWork W3083663593 @default.
- W4387244672 hasRelatedWork W3163950775 @default.
- W4387244672 hasRelatedWork W3205937993 @default.
- W4387244672 hasRelatedWork W4281291620 @default.
- W4387244672 hasRelatedWork W4287690149 @default.
- W4387244672 isParatext "false" @default.
- W4387244672 isRetracted "false" @default.
- W4387244672 workType "article" @default.