ProgramMaster Logo
Conference Tools for Materials Science & Technology 2020
Login
Register as a New User
Help
Submit An Abstract
Propose A Symposium
Presenter/Author Tools
Organizer/Editor Tools
About this Abstract
Meeting Materials Science & Technology 2020
Symposium Thermodynamic Properties, Structure and Phase Stabilities of Special Alloys
Presentation Title Sodium Pnictogen Chalcogenides for Thermoelectric and Photovoltaic Applications
Author(s) Ishan S. Khare, Nathan J. Szymanski, Daniel Gall, Richard E. Irving
On-Site Speaker (Planned) Ishan S. Khare
Abstract Scope We study the structural, electronic, optical, and thermoelectric properties of nine ternary chalcogenides, NaAX2, where A represents As, Sb, and Te, and X represents S, Se, and Te. Calculations based on density functional theory yield the following results: (i) phonon dispersion curves predict three of the compounds, NaAsS2, NaSbS2, and NaSbSe2, to be dynamically stable in the monoclinic, C2/c, structure, (ii) A-X electronic bonding features vary significantly with structural distortions arising from atomic size mismatch, therefore directly influencing stability, (iii) strong absorption is observed in the stable compounds, with coefficients ranging from 104 to 105 cm-1 in the visible-UV range, and (iv) remarkably high Seebeck coefficients exceeding 500 μV/K, at carrier concentrations commonly achieved in such materials, are found. From these results, we conclude that NaAsS2, NaSbS2, and NaSbSe2 are suitable candidates for both photovoltaic, particularly in tandem solar cells, and thermoelectric applications. Experimental synthesis and verification are suggested.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Deformation Induced Precipitation in Microalloyed Al-Cu
Depiction of Electro-optical Characteristics in CdSexTe1-x by Curbing Content And Short-Range Pattern
Determination of the Activation Energy of the Formation of Intermetallic Compounds in the Ni-Al and Ti-Al System Upon Receipt of Special Alloys
Examining the Oxidation in NiAl Binary Alloys Using Cellular Automata
Interdiffusion in Ternary Ti-Al-Mo System and Its Application during Homogenization Treatment
Introductory Comments: Thermodynamic Properties, Structure and Phase Stabilities of Special Alloys
Sodium Pnictogen Chalcogenides for Thermoelectric and Photovoltaic Applications
Thermal Decomposition of Quasicrystals in Powder-processed Icosahedral-Phase-strengthened Aluminum Alloys
Thermodynamic Modeling of the Ga-Mn-Ni System for Heusler Alloy Development
Thermodynamic Properties of Special Alloys of the Ti-Al System Formed under SHS Conditions

Questions about ProgramMaster? Contact programming@programmaster.org