First-principles calculation of P-type Mg3Sb2 thermoelectric performance modification by Ge and Si doping

First-principles calculation of P-type Mg3Sb2 thermoelectric performance modification by Ge and Si doping

Mg3Sb2 has been considered a highly promising thermoelectric material for mid-temperature applications. Optimizing the properties of the material is crucial for accelerating its commercial use. In this work, first-principles molecular simulations of P-type Mg3Sb2 doped with the carbon group elements...

Ausführliche Beschreibung

Bibliographische Detailangaben
Hauptverfasser:	Chengjiang Wang, Zhenghao Wang, Yifu Yang, Ke Zhang, Feifan Wang
Format:	Artikel
Sprache:	English
Veröffentlicht:	AIP Publishing LLC 2024-05-01
Schriftenreihe:	AIP Advances
Online Zugang:	http://dx.doi.org/10.1063/5.0205337

Ähnliche Einträge

Hf/Sb co-doping induced a high thermoelectric performance of ZrNiSn: First-principles calculation
von: Ju Zhang, et al.
Veröffentlicht: (2017-11-01)

Enhanced thermoelectric performance of Sb-doped Mg2Si0.4Sn0.6 via doping, alloying and nanoprecipitation
von: Binhao Wang, et al.
Veröffentlicht: (2024-03-01)

Enhancing Thermoelectric Performance of Mg<sub>3</sub>Sb<sub>2</sub> Through Substitutional Doping: Sustainable Energy Solutions via First-Principles Calculations
von: Muhammad Owais, et al.
Veröffentlicht: (2024-10-01)

Enhanced thermoelectric power factor of p-type Mg3Sb2 via co-doping of Si and Fe
von: Mạc Trung Kiên, et al.
Veröffentlicht: (2022-09-01)

Thermoelectric properties of Ag-doped compound: Mg3-xAgxSb2
von: Yanan Fu, et al.
Veröffentlicht: (2018-03-01)

Thermoelectric characterization of ZnSb by first-principles method
von: V. Maurya, et al.
Veröffentlicht: (2019-08-01)

Thermoelectric properties of yttrium-doped Mg3(Sb,Bi)2 synthesized by melting method
von: K. Kihou, et al.
Veröffentlicht: (2021-01-01)

Doping of Sb2Si2Te6 for enhanced thermoelectric energy conversion
von: Lim, Matthew Jun Wei
Veröffentlicht: (2022)

Structural, electronic and thermoelectric properties of the intermetallic materials based on Mg2X (X= Si, Ge, Sn): DFT calculations
von: Miloud Ibrir
Veröffentlicht: (2017-12-01)

Modeling study of thermoelectric SiGe nanocomposites
von: Minnich, Austin Jerome, et al.
Veröffentlicht: (2010)

First-Principles Investigations of Thermoelectric Behavior of RuCrX (X = Si, Ge, Sn)
von: Muhammad Asif, et al.
Veröffentlicht: (2022-12-01)

Effect of Bi doping on the thermoelectric properties of Mg2Si0.3Ge0.04Sn0.66 compound
von: Jia Ju, et al.
Veröffentlicht: (2022-05-01)

Ag-Mg antisite defect induced high thermoelectric performance of α-MgAgSb
von: Zhenzhen Feng, et al.
Veröffentlicht: (2017-05-01)

Semiconducting chalcogenide Ge-Se-Sb-Cu as new prospective thermoelectric materials
von: H.H. Hegazy
Veröffentlicht: (2019-09-01)

Thermoelectric performance of n-type Mg2Ge
von: Rafael Santos, et al.
Veröffentlicht: (2017-06-01)

Thermoelectric properties of granular Mg3Sb2 particles
von: Omonboev Lutfiddin Fazliddin o’gli, et al.
Veröffentlicht: (2023-01-01)

Gas Adsorption Investigation on SiGe Monolayer: A First-Principle Calculation
von: Xiang Sun, et al.
Veröffentlicht: (2020-05-01)

First-principles calculation on the structure stability, elastic properties and electronic structure of P-doped Mg2Si
von: Yingmin Li, et al.
Veröffentlicht: (2020-01-01)

Ni doped CoSb3 nanostructured thermoelectric materials
von: Zhang, Lei
Veröffentlicht: (2010)

Theoretical Study on Thermoelectric Properties and Doping Regulation of Mg<sub>3</sub>X<sub>2</sub> (X = As, Sb, Bi)
von: Xiaofang Wang, et al.
Veröffentlicht: (2021-06-01)

Thermoelectric transport behaviours of n-type Mg2 (Si,Sn,Ge) quaternary solid solutions
von: Övgü Ceyda Yelgel, et al.
Veröffentlicht: (2019-09-01)

Insight into the Optoelectronic and Thermoelectric Properties of Mn Doped ZnTe from First Principles Calculation
von: Wilayat Khan, et al.
Veröffentlicht: (2019-05-01)

Research Progress on Mg3Sb2-Based Thermoelectric Materials
von: Qiang ZHANG, et al.
Veröffentlicht: (2021-09-01)

Exploration of the electronic structure and thermoelectric properties of the carbon-doped bulk GaN materials by first-principles calculations
von: Hongyu Ji, et al.
Veröffentlicht: (2024-07-01)

Discordant distortion in cubic GeMnTe₂ and high thermoelectric properties of GeMnTe₂‑x%SbTe
von: Dong, Jinfeng, et al.
Veröffentlicht: (2023)

First-principles calculations to investigate the bulk, electronic, optical and thermoelectric properties of BaGe2As2 and BaGe2P2 alloys
von: Debora Nameme, et al.
Veröffentlicht: (2024-12-01)

Modeling and characterization of thermoelectric properties of SiGe nanocomposites
von: Lee, Hohyun, 1978-
Veröffentlicht: (2010)

SiGe epitaxial films with dislocations for the switchable memory: the accurate first-principle calculations
von: R. Balabai, et al.
Veröffentlicht: (2019-10-01)

Magneto-Thermoelectric Coefficients of Heavily Doped N-Type Mg2Si Material
von: Mulugeta Habte Gebru
Veröffentlicht: (2023-06-01)

Impact of Cr content on the thermoelectric properties of the Cr/Sb co-doped Mg2.2−xCrx(Si0.3Sn0.7)0.98Sb0.02 compound
von: Jia Ju, et al.
Veröffentlicht: (2022-01-01)

Synthesis and Thermoelectric Properties of Ni-Doped ZrCoSb Half-Heusler Compounds
von: Degang Zhao, et al.
Veröffentlicht: (2018-01-01)

Segregation-induced Ge precipitation in Ge2Sb2Te5 and N-doped Ge2Sb2Te5 line cells
von: Qiyun Xu, et al.
Veröffentlicht: (2022-06-01)

First principles calculations of the structural, electronic, magnetic, and thermodynamic properties of the Nd2MgGe2 and Gd2MgGe2 intermetallic compounds
von: S. Menouer, et al.
Veröffentlicht: (2021-05-01)

Interface kinetic manipulation enabling efficient and reliable Mg3Sb2 thermoelectrics
von: Yuntian Fu, et al.
Veröffentlicht: (2024-10-01)

Comparison of the excellent thermoelectric properties of the half-Heusler compounds RbMgSb with a host-guest structure and LiMgSb
von: Longchao Lv, et al.
Veröffentlicht: (2024-08-01)

Si and SiGe Nanowire for Micro-Thermoelectric Generator: A Review of the Current State of the Art
von: You Li, et al.
Veröffentlicht: (2021-03-01)

Impact of Various Dopants on Thermoelectric Transport Properties of Polycrystalline GeSb2Te4
von: Yihan Jiang, et al.
Veröffentlicht: (2024-04-01)

Thermoelectric Properties of Hexagonal M<sub>2</sub>C<sub>3</sub> (M = As, Sb, and Bi) Monolayers from First-Principles Calculations
von: Xue-Liang Zhu, et al.
Veröffentlicht: (2019-04-01)

First-principles calculations of thermoelectric transport properties in WSe2/SnS2 bilayer heterostructure
von: Cong Wang, et al.
Veröffentlicht: (2023-08-01)

First-Principles Calculations on Atomic and Electronic Properties of Ge/4H-SiC Heterojunction
von: Bei Xu, et al.
Veröffentlicht: (2018-01-01)