Cargando…

Thermoelectric Properties of Sb-S System Compounds from DFT Calculations

By combining density functional theory, quantum theory of atoms in molecules and transport properties calculations, we evaluated the thermoelectric properties of Sb-S system compounds and shed light on their relationships with electronic structures. The results show that, for Sb(2)S(3), the large de...

Descripción completa

Detalles Bibliográficos
Autores principales:	Yang, Hailong, Boulet, Pascal, Record, Marie-Christine
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7684470/ https://www.ncbi.nlm.nih.gov/pubmed/33105648 http://dx.doi.org/10.3390/ma13214707

Ejemplares similares

Electronic and Transport Properties of Strained and Unstrained Ge(2)Sb(2)Te(5): A DFT Investigation
por: Tian, Jing, et al.
Publicado: (2023)

Investigation of PbSnTeSe High-Entropy Thermoelectric Alloy: A DFT Approach
por: Xia, Ming, et al.
Publicado: (2022)

Strain Effects on the Electronic and Thermoelectric Properties of n(PbTe)-m(Bi(2)Te(3)) System Compounds
por: Ma, Weiliang, et al.
Publicado: (2021)

Improving the Thermoelectric Properties of the Half-Heusler Compound VCoSb by Vanadium Vacancy
por: Huang, Lihong, et al.
Publicado: (2019)

Electron, phonon and thermoelectric properties of Cu(7)PS(6) crystal calculated at DFT level
por: Andriyevsky, B., et al.
Publicado: (2021)

A chemical-bond-driven edge reconstruction of Sb nanoribbons and their thermoelectric properties from first-principles calculations
por: Shen, Jin-Ni, et al.
Publicado: (2019)

Structure-Property Relationships of 2D Ga/In Chalcogenides
por: Jiang, Pingping, et al.
Publicado: (2020)

Thermal Stability and Thermoelectric Properties of NaZnSb
por: Gvozdetskyi, Volodymyr, et al.
Publicado: (2018)

Thermoelectric Properties of Hexagonal M(2)C(3) (M = As, Sb, and Bi) Monolayers from First-Principles Calculations
por: Zhu, Xue-Liang, et al.
Publicado: (2019)

Structure–Property Relationships in Transition Metal Dichalcogenide Bilayers under Biaxial Strains
por: Jiang, Pingping, et al.
Publicado: (2021)

Layer-dependent excellent thermoelectric materials: from monolayer to trilayer tellurium based on DFT calculation
por: Zhang, Kexin, et al.
Publicado: (2023)

Electron Density and Its Relation with Electronic and Optical Properties in 2D Mo/W Dichalcogenides
por: Jiang, Pingping, et al.
Publicado: (2020)

Enhanced thermoelectric properties of Zn-doped GaSb nanocomposites
por: Fu, Qiang, et al.
Publicado: (2020)

Synthesis and thermoelectric properties of InSb alloys by solid reaction
por: Wang, Kang, et al.
Publicado: (2018)

First-Principle Investigations on the Electronic and Transport Properties of PbBi(2)Te(2)X(2) (X = S/Se/Te) Monolayers
por: Ma, Weiliang, et al.
Publicado: (2021)

Impact of Anionic Substitution in Yb(14)MgSb(11–x)As(x) Compounds on the Electronic and Thermoelectric Properties
por: Vo, Trinh, et al.
Publicado: (2022)

Enhancing the Thermoelectric Performance of GeSb(4)Te(7) Compounds via Alloying Se
por: Wang, Siyu, et al.
Publicado: (2023)

Insight on the Interplay between Synthesis Conditions and Thermoelectric Properties of α-MgAgSb
por: Camut, Julia, et al.
Publicado: (2019)

Enhanced thermoelectric properties in Sb/Ge core/shell nanowires through vacancy modulation
por: Bhuyan, Prabal Dev, et al.
Publicado: (2021)

Strong Reduction of Thermal Conductivity and Enhanced Thermoelectric Properties in CoSbS(1-x)Se(x) Paracostibite
por: Chmielowski, Radoslaw, et al.
Publicado: (2017)

Hf/Sb co-doping induced a high thermoelectric performance of ZrNiSn: First-principles calculation
por: Zhang, Ju, et al.
Publicado: (2017)

Electronic structure and thermoelectric properties of full Heusler compounds Ca(2)YZ (Y = Au, Hg; Z = As, Sb, Bi, Sn and Pb)
por: Hu, Yang, et al.
Publicado: (2020)

Assessing Effects of van der Waals Corrections on Elasticity of Mg(3)Bi(2−x)Sb(x) in DFT Calculations
por: Peng, Qing, et al.
Publicado: (2023)

Exceptional Thermoelectric Properties of Bilayer GeSe: First Principles Calculation
por: Fan, Qiang, et al.
Publicado: (2022)

The Effects of Excess Co on the Phase Composition and Thermoelectric Properties of Half-Heusler NbCoSb
por: Huang, Lihong, et al.
Publicado: (2018)

Enhanced thermoelectric properties of AgSbTe(2) obtained by controlling heterophases with Ce doping
por: Lee, Jae Ki, et al.
Publicado: (2017)

Synthesis, Bottom up Assembly and Thermoelectric Properties of Sb-Doped PbS Nanocrystal Building Blocks
por: Cadavid, Doris, et al.
Publicado: (2021)

In-situ Observation of Size and Irradiation Effects on Thermoelectric Properties of Bi-Sb-Te Nanowire in FIB Trimming
por: Chien, Chia-Hua, et al.
Publicado: (2016)

Fabrication of PEDOT: PSS-PVP Nanofiber-Embedded Sb(2)Te(3) Thermoelectric Films by Multi-Step Coating and Their Improved Thermoelectric Properties
por: Kim, Sang-il, et al.
Publicado: (2020)

High-efficiency and reliable same-parent thermoelectric modules using Mg(3)Sb(2)-based compounds
por: Jiang, Meng, et al.
Publicado: (2023)

Thermoelectric properties of Cu-dispersed bi(0.5)sb(1.5)te(3)
por: Kim, Il-Ho, et al.
Publicado: (2012)

Electronic, electrical and thermoelectric properties of Ba(0.95)Ca(0.05)Ti(0.95)Y(0.05)O(2.975) compound: Experimental study and DFT-mBJ calculation
por: Saidi, A., et al.
Publicado: (2023)

Electronic, optical and thermoelectric properties of Fe(2)ZrP compound determined via first-principles calculations
por: Pakizeh, Esmaeil, et al.
Publicado: (2019)

Thermodynamic, Structural and Thermoelectric Properties of AgSbTe(2) Thick Films Developed by Melt Spinning
por: Du, Baoli, et al.
Publicado: (2018)

Roles of Cu in the Enhanced Thermoelectric Properties in Bi(0.5)Sb(1.5)Te(3)
por: Hao, Feng, et al.
Publicado: (2017)

Investigation of the Effect of Double-Filler Atoms on the Thermoelectric Properties of Ce-YbCo(4)Sb(12)
por: Binh, Nguyen Vu, et al.
Publicado: (2023)

Insight into the structural, optoelectronic, and thermoelectric properties of Fe(2)HfSi Heusler by DFT investigation
por: Azam, Abida, et al.
Publicado: (2023)

Metallization and Diffusion Bonding of CoSb(3)-Based Thermoelectric Materials
por: Feng, Hangbin, et al.
Publicado: (2020)

Effect of Refractory Tantalum Metal Filling on the Microstructure and Thermoelectric Properties of Co(4)Sb(12) Skutterudites
por: Trivedi, Vikrant, et al.
Publicado: (2021)

Effect of Fe ion implantation on the thermoelectric properties and electronic structures of CoSb(3) thin films
por: Masarrat, Anha, et al.
Publicado: (2019)

Cannot write session to /tmp/vufind_sessions/sess_85pl5me67cp0qqhgt5p1d0elki