Germanium Chalcogenide Thermoelectrics: Electronic Structure Modulation and Low Lattice Thermal Conductivity

A 2.3-fold rise in power factor and 40% drop in the lattice thermal conductivity is realized through micro- and electronic structure modulation with mechanical milling, leading to a large ZT = 0.9 for Cu2SnSe3.

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Synergetic Enhancement of the Power Factor and Suppression of Lattice Thermal Conductivity via Electronic Structure Modification and Nanostructuring on a Ni- and B-Codoped p-Type Si–Ge Alloy for Thermoelectric Application

ACS Applied Electronic Materials ◽

10.1021/acsaelm.1c01075 ◽

2021 ◽

Author(s):

Omprakash Muthusamy ◽

Saurabh Singh ◽

Keisuke Hirata ◽

Kentaro Kuga ◽

Santhana Krishnan Harish ◽

...

Keyword(s):

Thermal Conductivity ◽

Electronic Structure ◽

Power Factor ◽

Lattice Thermal Conductivity ◽

Structure Modification ◽

P Type ◽

Thermoelectric Application

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Transport Properties of Superlattice Nanowires and Their Potential for Thermoelectric Applications

MRS Proceedings ◽

10.1557/proc-737-e17.5 ◽

2002 ◽

Vol 737 ◽

Cited By ~ 1

Author(s):

Yu-Ming Lin ◽

Mildred S. Dresselhaus

Keyword(s):

Thermal Conductivity ◽

Quantum Dots ◽

Electronic Structure ◽

Theoretical Model ◽

Transport Properties ◽

Periodic Potential ◽

Lattice Thermal Conductivity ◽

Electronic Density ◽

Potential Perturbation ◽

Electronic Tunneling

ABSTRACTA theoretical model for the electronic structure and transport properties of superlattice (SL) nanowires is presented, based on the electronic tunneling between quantum dots. Due to the periodic potential perturbation, SL nanowires exhibit unusual features in the electronic density of states that are absent in homogeneous nanowires. Transport property calculations of PbSe/PbS SL nanowires are presented, showing improved thermoelectric performance compared to homogeneous nanowires because of a lower lattice thermal conductivity and an enhanced Seebeck coefficient, indicating that SL nanowires are promising systems for thermoelectric applications.

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Effects of iron spin transition on the electronic structure, thermal expansivity and lattice thermal conductivity of ferropericlase: a first principles study

Scientific Reports ◽

10.1038/s41598-019-40454-4 ◽

2019 ◽

Vol 9 (1) ◽

Cited By ~ 1

Author(s):

Yalan Song ◽

Kaihua He ◽

Jian Sun ◽

Chaojie Ma ◽

Miao Wan ◽

...

Keyword(s):

Thermal Conductivity ◽

Electronic Structure ◽

First Principles ◽

Lattice Thermal Conductivity ◽

Spin Transition ◽

Thermal Expansivity ◽

First Principles Study

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Anomalously large lattice thermal conductivity in metallic tungsten carbide and its origin in the electronic structure

Materials Today Physics ◽

10.1016/j.mtphys.2020.100214 ◽

2020 ◽

Vol 13 ◽

pp. 100214 ◽

Cited By ~ 3

Author(s):

A. Kundu ◽

J. Ma ◽

J. Carrete ◽

G.K.H. Madsen ◽

W. Li

Keyword(s):

Thermal Conductivity ◽

Electronic Structure ◽

Tungsten Carbide ◽

Lattice Thermal Conductivity ◽

Large Lattice

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Comment on “Low lattice thermal conductivity and promising thermoelectric figure of merit of Zintl type TlInTe2” by G. Ding et al., J. Mater. Chem. C, 2018, 6, 13269.

Journal of Materials Chemistry C ◽

10.1039/d0tc01308k ◽

2020 ◽

Vol 8 (21) ◽

pp. 7253-7254

Author(s):

A. M. Panich

Keyword(s):

Thermal Conductivity ◽

Electronic Structure ◽

Figure Of Merit ◽

Lattice Thermal Conductivity ◽

Thermoelectric Figure Of Merit ◽

Thermoelectric Figure ◽

Low Thermal Conductivity

We add several details concerning the electronic structure and mechanisms of low thermal conductivity of TlInTe2 calculated by Ding et al.

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The Effects of Element Substitution on Electronic Structure, Electron Transport Properties, and Lattice Thermal Conductivity of Fe2VAl Thermoelectric Material

MATERIALS TRANSACTIONS ◽

10.2320/matertrans.m2010224 ◽

2010 ◽

Vol 51 (12) ◽

pp. 2139-2144 ◽

Cited By ~ 5

Author(s):

Hiroki Goto ◽

Yu-ichi Terazawa ◽

Masashi Mikami ◽

Tsunehiro Takeuchi

Keyword(s):

Thermal Conductivity ◽

Electronic Structure ◽

Electron Transport ◽

Transport Properties ◽

Thermoelectric Material ◽

Lattice Thermal Conductivity ◽

Element Substitution ◽

Electron Transport Properties

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Effects of Heavy Element Substitution on Electronic Structure and Lattice Thermal Conductivity of Fe2VAl Thermoelectric Material

Journal of the Japan Institute of Metals and Materials ◽

10.2320/jinstmet.76.216 ◽

2012 ◽

Vol 76 (3) ◽

pp. 216-221 ◽

Cited By ~ 2

Author(s):

Yuichi Terazawa ◽

Masashi Mikami ◽

Takashi Itoh ◽

Tsunehiro Takeuchi

Keyword(s):

Thermal Conductivity ◽

Electronic Structure ◽

Thermoelectric Material ◽

Heavy Element ◽

Lattice Thermal Conductivity ◽

Element Substitution

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Effects of Heavy Element Substitution on Electronic Structure and Lattice Thermal Conductivity of Fe2VAl Thermoelectric Material

Journal of Electronic Materials ◽

10.1007/s11664-011-1862-z ◽

2011 ◽

Vol 41 (6) ◽

pp. 1348-1353 ◽

Cited By ~ 22

Author(s):

Yuichi Terazawa ◽

Masashi Mikami ◽

Takashi Itoh ◽

Tsunehiro Takeuchi

Keyword(s):

Thermal Conductivity ◽

Electronic Structure ◽

Thermoelectric Material ◽

Heavy Element ◽

Lattice Thermal Conductivity ◽

Element Substitution

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Effects of low dimensionality on electronic structure and thermoelectric properties of bismuth

RSC Advances ◽

10.1039/c9ra08341c ◽

2019 ◽

Vol 9 (69) ◽

pp. 40670-40680 ◽

Cited By ~ 1

Author(s):

C. Y. Wu ◽

L. Sun ◽

J. C. Han ◽

H. R. Gong

Keyword(s):

Thermal Conductivity ◽

Electronic Structure ◽

Band Structure ◽

First Principles ◽

Lattice Thermal Conductivity ◽

Transport Theory ◽

First Principles Calculations ◽

Boltzmann Transport ◽

Boltzmann Transport Theory ◽

Low Dimensionality

First-principles calculations and Boltzmann transport theory have been combined to comparatively investigate the band structure, phonon spectrum, lattice thermal conductivity, and the transport properties of the β-bismuth monolayer and bulk Bi.

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