Imagen de Portada

First-Principles Investigation of the Physical and Thermoelectric Properties of Chalcogenide Compounds for Waste-Heat Recovery

Fuente: arXiv

Guardado en:

Detalles Bibliográficos
Autores principales:	Rifat, Md Hasan Shahriar, Khan, Tanvir, Hassan, K. M. Mehedi
Formato:	Preprint
Publicado:	2025
Materias:	Materials Science
Acceso en línea:	Acceder al recurso
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

Ejemplares similares

Exploring the Physical Properties, Hydrogen Storage Capacity and Thermal Barrier Performance of LaMg2H7: A First-Principles Investigation
por: Khan, Tanvir, et al.
Publicado: (2025)

Design and Modeling of CdGa2Te4 and ZnGa2Te4 Chalcogenide Compound-Based Photovoltaic Devices: A DFT Study along with SCAPS-1D Simulation
por: Rifat, Md Hasan Shahriar, et al.
Publicado: (2025)

First‐Principles DFT Investigation of Physical and Superconducting Properties in Cesium‐Based Ternary Compounds CsT 2 Si 2 (T = Ni, In, Ga, Rh, Ta, and Ir)
por: Rifat Sarker Apu, et al.
Publicado: (2026)

Investigation of the Pressure Dependent Physical Properties of MAX Phase Ti2AlX (X = B, C, and N) Compounds: A First-Principles Study
por: Naher, M. I., et al.
Publicado: (2024)

First-Principles Investigation of the Pressure Dependent Physical Properties of Intermetallic Kagome ZrRe2
por: Naher, Mst. Irin, et al.
Publicado: (2026)

Exploring the Thermodynamic, Elastic, and Optical properties of LaRh2X2 (X = Al, Ga, In) low Tc Superconductors through First-Principles Calculations
por: Rifat, Md. Hasan Shahriar, et al.
Publicado: (2026)

First-Principles Investigation of Mechanical, Lattice Dynamical, and Thermodynamic Properties of BaTiO3 Polymorphs
por: Chakraborty, Arpon, et al.
Publicado: (2025)

First-Principles Thermodynamic Analysis of Ternary Chalcogenide Phase Change Materials
por: Adams, Felix, et al.
Publicado: (2026)

Stability Criteria and Optoelectronic Properties of Mg3ZBr3 (Z = As, Sb, Bi) Perovskites for Evaluating the Performance in PIN Photo Diode
por: Mohiuddin, Md, et al.
Publicado: (2025)

Numerical Investigation of Optimal Buffer Layer and Performance Evaluation on CdTe Solar Cell
por: Ahamed, Tanzir, et al.
Publicado: (2024)

Numerical Modelling of Buffer Layers for Advancing CZTSSe Solar Cell Efficiency
por: Ahamed, Tanzir, et al.
Publicado: (2025)

Ab-initio Study of Structural, Magnetic, Optoelectronic and Thermo-Physical Properties of HoPdBi Half-Heusler Semimetal
por: Khan, Tanvir, et al.
Publicado: (2025)

First-Principles Investigation of Sr2PrSbO6 Double Perovskite: An Emerging Aspirant for Electrocatalysis, Plasmonic, Photonics, Thermoelectric and Solar Cell Applications
por: Mohiuddin, Md., et al.
Publicado: (2025)

New Directions for Thermoelectrics: A Roadmap from High-Throughput Materials Discovery to Advanced Device Manufacturing
por: Song, Kaidong, et al.
Publicado: (2024)

Pressure Tunable Properties of Calcium Arsenic Trihalide Perovskites from First Principles DFT
por: Redwanul Kabir, et al.
Publicado: (2026)

Comprehensive numerical analysis of doping controlled efficiency in lead free Cs(SnGe)I3 perovskites solar cell
por: Hasan, Nazmul, et al.
Publicado: (2025)

A Systematic Investigation of PbSe Thermoelectric Material
por: Rahman, Md. Moklesur, et al.
Publicado: (2024)

Design Principles for Topological Thermoelectrics
por: Skinner, Brian, et al.
Publicado: (2025)

High-Performance Thermoelectric Properties of Half-Heusler CoHfSi: A First-Principles Study with Temperature-Dependent Relaxation Time
por: Matth, Sadhana, et al.
Publicado: (2024)

Thermoelectric Transport in Weyl Semimetal BaMnSb2: a First-Principles Study
por: Chen, Yubi, et al.
Publicado: (2024)

First-Principles and Machine Learning Investigation of the Structural and Optoelectronic Properties of Dodecaphenylyne: A Novel Carbon Allotrope
por: Lima, Kleuton A. L., et al.
Publicado: (2025)

Thermoelectric Properties of Copper-based Chalcopyrite Semiconductors Cu$MX_2$ ($M$ = Al, Ga, and In; $X$ = S, Se, and Te) from First-Principles Calculations
por: Xiong, Wu, et al.
Publicado: (2025)

A Comparison of Electronic, Dielectric, and Thermoelectric Properties of Monolayer of HfX2N4(X = Si, Ge) through First-Principles Calculations
por: Das, Chayan, et al.
Publicado: (2024)

Thermoelectric Properties of Graphene through BN-ring Doping: A Theoretical Investigation
por: Caputo, Laura, et al.
Publicado: (2024)

Orbital-Engineered Spin Asymmetry and Multifunctionality in Eu-Activated CaAlSiN$_3$: A First-Principles Roadmap to Optical-Thermoelectric Fusion
por: Tayyab, Muhammad, et al.
Publicado: (2025)

Enhanced Thermoelectric Performance through Site-Specific Doping in Tetragonal Cu$_{2}$S: A First-Principles Study
por: Phuntsho, Sonam
Publicado: (2025)

Unravelling The potential of Hybrid Borocarbonitride Biphenylene 2D Network for Thermoelectric Applications: A First Principles Study
por: Senapati, Ajay Kumar Parbati, et al.
Publicado: (2025)

Combining Machine Learning Models with First-Principles High-Throughput Calculation to Accelerate the Search of Promising Thermoelectric Materials
por: Fan, Tao, et al.
Publicado: (2024)

Mechanical Properties of Au Coated Si Nanowafer: an Atomistic Study
por: Nahian, Shahriar, et al.
Publicado: (2020)

Layered XZnBi (X = Rb, Cs) with Pudding-Mold Bands, Complex Fermi Surfaces and Low Thermal Conductivity: A First-Principles Study of Thermoelectric Properties
por: Wani, Aadil Fayaz, et al.
Publicado: (2025)

Bi3+ Doped Nanocrystalline Ni-Co-Zn Spinel Ferrites: Tuning of Physical, Electrical, Dielectric and Magnetic Properties for Advanced Spintronics Applications
por: Rahman, Md. Mahfuzur, et al.
Publicado: (2024)

Structural Motif Selection in Fluorinated Metal-Organic Chalcogenides Driven by Ligand Electrostatics
por: Islam, Md. Saiful, et al.
Publicado: (2026)

Defect-Engineered Multifunctionality in Cu-Doped Bi2Te2: Interplay of Thermoelectric, Piezoelectric, and Optoelectronic Properties from First-Principles Insights
por: Javed, Muhammad Usman, et al.
Publicado: (2025)

First-Principle Characterization of Structural, Electronic, and Optical Properties of Tin-Halide Monomers
por: Schütt, Freerk, et al.
Publicado: (2024)

Hierarchical Characterization of Thermoelectric Performance in Copper-Based Chalcogenide CsCu$_3$S$_2$: Unveiling the role of Anharmonic Lattice Dynamics
por: Yue, Jincheng, et al.
Publicado: (2024)

A First-Principles Investigation of Goldene for Enhanced Hydrogen Evolution Reaction
por: Amaram, Ashutosh Krishna, et al.
Publicado: (2025)

Crystal Growth of Chalcogenides and Oxy-Chalcogenides Using Chloride Exchange Reaction
por: Singh, Shantanu, et al.
Publicado: (2025)

Numerical Simulation of Lead-Free Absorbers in 2D Dion-Jacobson Phase Perovskite Solar Cells Using SCAPS-1D: Towards 41% Efficiency
por: Hasan, Md. Meraz, et al.
Publicado: (2025)

First-Principles Thermodynamics of Al$_{10}$V: An Analytical Treatment of Localized Anharmonic Modes
por: Albuhairan, Hassan Y., et al.
Publicado: (2025)

Integrative Mobility Model For Grain-Boundary-Limited Transport In Thermoelectric Compounds
por: Yusuf, Gbadebo Taofeek, et al.
Publicado: (2024)