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Themed collection The Chemistry of Thermoelectric Materials

45 items
Editorial

Themed issue on the chemistry of thermoelectric materials

Guest editor G. Jeffrey Snyder introduces this Journal of Materials Chemistry C themed issue on the chemistry of thermoelectric materials.

Graphical abstract: Themed issue on the chemistry of thermoelectric materials
From the themed collection: The Chemistry of Thermoelectric Materials
Application

Flexible thermoelectric materials and device optimization for wearable energy harvesting

In this paper, we review recent advances in the development of flexible thermoelectric materials and devices for wearable human body-heat energy harvesting applications.

Graphical abstract: Flexible thermoelectric materials and device optimization for wearable energy harvesting
From the themed collection: The Chemistry of Thermoelectric Materials
Review Article

Tetrahedrites as thermoelectric materials: an overview

This review discusses about the crystal structure, chemical bonding, and the electronic band structure of tetrahedrite materials. Also, this review outlines the effect of different doping elements on the thermoelectric properties of tetrahedrite materials.

Graphical abstract: Tetrahedrites as thermoelectric materials: an overview
From the themed collection: The Chemistry of Thermoelectric Materials
Review Article

Silicon de novo: energy filtering and enhanced thermoelectric performances of nanocrystalline silicon and silicon alloys

Energy filtering due to second-phase precipitation in nanocrystalline silicon may lead to remarkable improvements of its thermoelectric power factor.

Graphical abstract: Silicon de novo: energy filtering and enhanced thermoelectric performances of nanocrystalline silicon and silicon alloys
From the themed collection: The Chemistry of Thermoelectric Materials
Review Article

Bismuth nanowire thermoelectrics

Here, we review the current progress in the thermoelectrics of bismuth nanowires, the fundamentals of their advantage and limitation over bulk Bi, and their potential use for enhancing thermoelectric performance.

Graphical abstract: Bismuth nanowire thermoelectrics
From the themed collection: The Chemistry of Thermoelectric Materials
Review Article

Strong correlation between the crystal structure and the thermoelectric properties of pavonite homologue Cux+yBi5−yCh8 (Ch = S or Se) compounds

Strong correlation between interstitial sites and thermoelectric properties of pavonite homologue Cux+yBi5−yCh8 (Ch = S or Se) compounds.

Graphical abstract: Strong correlation between the crystal structure and the thermoelectric properties of pavonite homologue Cux+yBi5−yCh8 (Ch = S or Se) compounds
From the themed collection: The Chemistry of Thermoelectric Materials
Review Article

Inorganic–organic superlattice thin films for thermoelectrics

Nanoscale layer-engineering using the combined atomic/molecular layer deposition (ALD/MLD) technique for the fabrication of oxide–organic thin-film superlattices is an attractive way to tailor the performance of thermoelectric materials as it potentially allows us to suppress thermal conductivity without significantly hindering the electrical transport properties.

Graphical abstract: Inorganic–organic superlattice thin films for thermoelectrics
From the themed collection: The Chemistry of Thermoelectric Materials
Review Article

Strategies for engineering phonon transport in thermoelectrics

We discuss representative strategies of phonon engineering by categorizing them into the methods affecting each component of thermal conductivity.

Graphical abstract: Strategies for engineering phonon transport in thermoelectrics
From the themed collection: The Chemistry of Thermoelectric Materials
Open Access Communication

Record figure of merit values of highly stoichiometric Sb2Te3 porous bulk synthesized from tailor-made molecular precursors in ionic liquids

We report on the synthesis of Sb2Te3 nanoparticles with zT values of up to 1.5. The thermoelectric transport parameters were independently optimized, giving guidance for the design of thermoelectric materials.

Graphical abstract: Record figure of merit values of highly stoichiometric Sb2Te3 porous bulk synthesized from tailor-made molecular precursors in ionic liquids
From the themed collection: The Chemistry of Thermoelectric Materials
Paper

Understanding thermoelectric properties from high-throughput calculations: trends, insights, and comparisons with experiment

An overview of computed thermoelectric properties for more than 48 000 inorganic compounds from the Materials Project (MP).

Graphical abstract: Understanding thermoelectric properties from high-throughput calculations: trends, insights, and comparisons with experiment
From the themed collection: The Chemistry of Thermoelectric Materials
Open Access Paper

Crystal structure and thermoelectric properties of Sr–Mo substituted CaMnO3: a combined experimental and computational study

Experimental and modelling investigation of Sr/Mo (co-)doped CaMnO3 highlighted the role of Mn3+ and presence of domain boundaries in thermal transport and thermoelectric properties.

Graphical abstract: Crystal structure and thermoelectric properties of Sr–Mo substituted CaMnO3: a combined experimental and computational study
From the themed collection: The Chemistry of Thermoelectric Materials
Paper

Thermoelectric properties of materials with nontrivial electronic topology

Small band gap topological insulators and Weyl semimetals show excellent TE properties. We identify two mechanisms (i) asymmetry in the electronic density of states caused by band inversion at an electronic topological transition and (ii) band convergence as the key to good TE behavior of these materials.

Graphical abstract: Thermoelectric properties of materials with nontrivial electronic topology
From the themed collection: The Chemistry of Thermoelectric Materials
Paper

Morphological effects on the thermoelectric properties of Ti0.3Zr0.35Hf0.35Ni1+δSn alloys following phase separation

Thermoelectrics are known as one of the emerging renewable power generation technologies.

Graphical abstract: Morphological effects on the thermoelectric properties of Ti0.3Zr0.35Hf0.35Ni1+δSn alloys following phase separation
From the themed collection: The Chemistry of Thermoelectric Materials
Paper

Determining dilute-limit solvus boundaries in multi-component systems using defect energetics: Na in PbTe and PbS

Defect calculations have untapped potential to quantitatively determine thermodynamics of semiconductors. We present a methodology to determine solve boundaries in multicomponent systems using defect energy calculations.

Graphical abstract: Determining dilute-limit solvus boundaries in multi-component systems using defect energetics: Na in PbTe and PbS
From the themed collection: The Chemistry of Thermoelectric Materials
Open Access Paper

Acido-basic control of the thermoelectric properties of poly(3,4-ethylenedioxythiophene)tosylate (PEDOT-Tos) thin films

PEDOT-Tos is one of the conducting polymers that displays the most promising thermoelectric properties.

Graphical abstract: Acido-basic control of the thermoelectric properties of poly(3,4-ethylenedioxythiophene)tosylate (PEDOT-Tos) thin films
From the themed collection: The Chemistry of Thermoelectric Materials
Paper

Enhanced thermoelectric performance of n-type Cu0.008Bi2Te2.7Se0.3 by band engineering

We herein report the significantly improved thermoelectric performance of n-type Bi2Te2.7Se0.3 polycrystalline bulks through band structure engineering achieved by Au-doping.

Graphical abstract: Enhanced thermoelectric performance of n-type Cu0.008Bi2Te2.7Se0.3 by band engineering
From the themed collection: The Chemistry of Thermoelectric Materials
Paper

Fabrication of thermoelectric materials – thermal stability and repeatability of achieved efficiencies

Thermoelectric properties of metastable metal chalcogenides degrade with thermal cycling.

Graphical abstract: Fabrication of thermoelectric materials – thermal stability and repeatability of achieved efficiencies
Paper

Ball milling as an effective route for the preparation of doped bornite: synthesis, stability and thermoelectric properties

Ball milling has been exploited for the preparation of Cu5Fe1−xMnxS4. These materials, which are p-type semiconductors, exhibit a figure of merit greater than 0.5 at moderate temperatures.

Graphical abstract: Ball milling as an effective route for the preparation of doped bornite: synthesis, stability and thermoelectric properties
From the themed collection: The Chemistry of Thermoelectric Materials
Paper

High performance n-type bismuth telluride based alloys for mid-temperature power generation

We combine Se alloying, SbI3 doping and repeated hot deformation to obtain high-performance n-type Bi2Te3 based mid-temperature thermoelectric materials for power generation.

Graphical abstract: High performance n-type bismuth telluride based alloys for mid-temperature power generation
From the themed collection: The Chemistry of Thermoelectric Materials
Paper

Electrical and thermal transport properties of spark plasma sintered n-type Bi2Te3−xSex alloys: the combined effect of point defect and Se content

Investigation of electrical and thermal transport properties in powder-processed Bi2Te3−xSex thermoelectric alloys determined the optimal composition based on defect chemistry.

Graphical abstract: Electrical and thermal transport properties of spark plasma sintered n-type Bi2Te3−xSex alloys: the combined effect of point defect and Se content
From the themed collection: The Chemistry of Thermoelectric Materials
Paper

Computational and experimental investigation of TmAgTe2 and XYZ2 compounds, a new group of thermoelectric materials identified by first-principles high-throughput screening

Promising thermoelectric materials (XYZ2) with high band degeneracy and low thermal conductivity.

Graphical abstract: Computational and experimental investigation of TmAgTe2 and XYZ2 compounds, a new group of thermoelectric materials identified by first-principles high-throughput screening
From the themed collection: The Chemistry of Thermoelectric Materials
Paper

Interfacial reactions between PbTe-based thermoelectric materials and Cu and Ag bonding materials

The development of reliable bonding materials for PbTe-based thermoelectric modules that can undergo long-term operations at high temperature is carried out.

Graphical abstract: Interfacial reactions between PbTe-based thermoelectric materials and Cu and Ag bonding materials
From the themed collection: The Chemistry of Thermoelectric Materials
Open Access Paper

Compositions and thermoelectric properties of XNiSn (X = Ti, Zr, Hf) half-Heusler alloys

Neutron powder diffraction has been used to investigate the experimental compositions of single and multiphase half-Heusler samples.

Graphical abstract: Compositions and thermoelectric properties of XNiSn (X = Ti, Zr, Hf) half-Heusler alloys
From the themed collection: The Chemistry of Thermoelectric Materials
Paper

High thermoelectric figure-of-merit in Sb2Te3/Ag2Te bulk composites as Pb-free p-type thermoelectric materials

Sb2Te3/Ag2Te (ST/AT) composites with ST/AT molar ratios of 1/1, 2/1, 4/1, 8/1, 16/1, and 32/1 were synthesized, and high ZT values were achieved compared with other Pb-free p-type chalcogenide thermoelectric materials.

Graphical abstract: High thermoelectric figure-of-merit in Sb2Te3/Ag2Te bulk composites as Pb-free p-type thermoelectric materials
From the themed collection: The Chemistry of Thermoelectric Materials
Paper

Comparison of local distortions in Ba8Ga16X30 (X = Si, Ge, Sn): an EXAFS study

We report an extended X-ray fine structure (EXAFS) analysis of the type-I clathrates Ba8Ga16X30 (X = Si, Sn) and compare the results with the results of previous studies on X = Ge. The environment about Ba is the most disordered for X=Sn.

Graphical abstract: Comparison of local distortions in Ba8Ga16X30 (X = Si, Ge, Sn): an EXAFS study
From the themed collection: The Chemistry of Thermoelectric Materials
Paper

Fast direct synthesis and compaction of phase pure thermoelectric ZnSb

ZnSb is a promising low cost, non-toxic thermoelectric material, but large scale applications require development of fast and easy synthesis methods.

Graphical abstract: Fast direct synthesis and compaction of phase pure thermoelectric ZnSb
From the themed collection: The Chemistry of Thermoelectric Materials
Paper

Enhanced average thermoelectric figure of merit of n-type PbTe1−xIx–MgTe

The average thermoelectric figure of merit ZT of n-type PbTe1−xIx–MgTe is successfully enhanced through nano and meso structuring.

Graphical abstract: Enhanced average thermoelectric figure of merit of n-type PbTe1−xIx–MgTe
From the themed collection: The Chemistry of Thermoelectric Materials
Paper

The effect of light rare earth element substitution in Yb14MnSb11 on thermoelectric properties

The zT of Yb14MnSb11 is improved by the introduction of a light rare earth element, RE3+ (RE = Pr, Sm) with partially filled f-levels. The carrier concentration is reduced upon substituting RE3+ for Yb2+, adding one electron to the system and improving the zT values 30–40% over that of the pristine material.

Graphical abstract: The effect of light rare earth element substitution in Yb14MnSb11 on thermoelectric properties
From the themed collection: The Chemistry of Thermoelectric Materials
Open Access Paper

Heterostructures of skutterudites and germanium antimony tellurides – structure analysis and thermoelectric properties of bulk samples

The precipitation of skutterudite-type crystallites in germanium antimony tellurides yields intriguing materials with respect to their thermoelectric performance, especially due to a very low phononic part of the lattice thermal conductivity.

Graphical abstract: Heterostructures of skutterudites and germanium antimony tellurides – structure analysis and thermoelectric properties of bulk samples
From the themed collection: The Chemistry of Thermoelectric Materials
Paper

High temperature thermoelectric properties of Zn-doped Eu5In2Sb6

The Zintl phase Eu5In2−xZnxSb6 (x = 0, 0.025, 0.05, 0.1, 0.2) with optimized p-type carrier concentration displays a zT of up to 0.4 at ∼660 K.

Graphical abstract: High temperature thermoelectric properties of Zn-doped Eu5In2Sb6
From the themed collection: The Chemistry of Thermoelectric Materials
Open Access Paper

Mechanochemical synthesis and high temperature thermoelectric properties of calcium-doped lanthanum telluride La3−xCaxTe4

The thermoelectric properties from 300–1275 K of calcium-doped La3−xTe4 are reported.

Graphical abstract: Mechanochemical synthesis and high temperature thermoelectric properties of calcium-doped lanthanum telluride La3−xCaxTe4
Open Access Paper

Non-stoichiometric compositions arising from synergistic electronic and size effects. Synthesis, crystal chemistry and electronic properties of A14Cd1+xPn11 compounds (0 ≤ x ≤ 0.3; A = Sr, Eu; Pn = As, Sb)

Synthesis and structural characterization of four compounds, isostructural, but not isoelectronic, with the thermoelectric material Yb14MnSb11.

Graphical abstract: Non-stoichiometric compositions arising from synergistic electronic and size effects. Synthesis, crystal chemistry and electronic properties of A14Cd1+xPn11 compounds (0 ≤ x ≤ 0.3; A = Sr, Eu; Pn = As, Sb)
Paper

Enhanced thermoelectric power factor of Re-substituted higher manganese silicides with small islands of MnSi secondary phase

A rhenium-substituted HMS sample with small islands of MnSi secondary phase has been prepared by the quenching method. Such unique microstructure leads to an enhanced thermoelectric power factor (PF) as compared to the samples prepared by other methods.

Graphical abstract: Enhanced thermoelectric power factor of Re-substituted higher manganese silicides with small islands of MnSi secondary phase
From the themed collection: The Chemistry of Thermoelectric Materials
Paper

The solid solution series Tl(V1−xCrx)5Se8: crystal structure, magnetic and thermoelectric properties

The crystal structure of single crystalline members of the solid solution series Tl(V1−xCrx)5Se8 (x = 0–1 and Δx = 0.2) was determined and the magnetic and thermoelectric properties of bulk TlV5Se8 were investigated.

Graphical abstract: The solid solution series Tl(V1−xCrx)5Se8: crystal structure, magnetic and thermoelectric properties
From the themed collection: The Chemistry of Thermoelectric Materials
Paper

Self-assisted nucleation and growth of [010]-oriented Sb2Se3 whiskers: the crystal structure and thermoelectric properties

The thermoelectric power factor of the self-assisted [010]-oriented Sb2Se3 is 104 times higher than that of Sb2Se3 bulk and is comparable to that of Sb2Se3 nanotubes, respectively.

Graphical abstract: Self-assisted nucleation and growth of [010]-oriented Sb2Se3 whiskers: the crystal structure and thermoelectric properties
From the themed collection: The Chemistry of Thermoelectric Materials
Paper

Crystal structure, electronic band structure and high-temperature thermoelectric properties of Te-substituted tetrahedrites Cu12Sb4−xTexS13 (0.5 ≤ x ≤ 2.0)

The crystal structure, thermal stability and high-temperature thermoelectric properties of two series of tetrahedrites prepared by different synthesis routes are reported underlining the importance of off-stoichiometry in this family of compounds.

Graphical abstract: Crystal structure, electronic band structure and high-temperature thermoelectric properties of Te-substituted tetrahedrites Cu12Sb4−xTexS13 (0.5 ≤ x ≤ 2.0)
From the themed collection: The Chemistry of Thermoelectric Materials
Paper

Carrier dilution in TiSe2 based intergrowth compounds for enhanced thermoelectric performance

Synthesis and electrical properties of kinetically stabilized (PbSe)1+δ(TiSe2)n thin-film intergrowths are reported for 1 ≤ n ≤ 18. The carriers donated to the TiSe2 from PbSe are diluted with increasing n, leading to a systematic increase in the Seebeck coefficient and thermoelectric power factor.

Graphical abstract: Carrier dilution in TiSe2 based intergrowth compounds for enhanced thermoelectric performance
From the themed collection: The Chemistry of Thermoelectric Materials
Paper

Synthesis, crystal structure, and transport properties of quaternary tetrahedral chalcogenides

The synthesis, crystal structure, and transport properties of quaternary tetrahedral chalcogenides Cu2.1Fe0.9SnSe4, Cu2.2Fe0.8SnSe4 and Cu2.2Zn0.2Fe0.6SnSe4 were investigated. Cu2.2Fe0.8SnSe4 has a ZT value of 0.45 at 750 K, the highest ZT thus far reported at this temperature for solid–solution compositions in this material system.

Graphical abstract: Synthesis, crystal structure, and transport properties of quaternary tetrahedral chalcogenides
From the themed collection: The Chemistry of Thermoelectric Materials
Open Access Paper

Thermoelectric transport and microstructure of optimized Mg2Si0.8Sn0.2

We have optimized the thermoelectric material Mg2Si0.8Sn0.2 and analyzed the electronic transport employing a single parabolic band model.

Graphical abstract: Thermoelectric transport and microstructure of optimized Mg2Si0.8Sn0.2
From the themed collection: The Chemistry of Thermoelectric Materials
Paper

MoSi2-type narrow band gap intermetallic compound Al6Re5Si4 as a thermoelectric material

The thermoelectric properties of MoSi2-type intermetallic compound Al6Re5Si4 (investigated compositions: Al6−xRe4.7Si4+x (x = 0–0.9)) related to TiSi2-type narrow band gap intermetallic compounds were systematically investigated.

Graphical abstract: MoSi2-type narrow band gap intermetallic compound Al6Re5Si4 as a thermoelectric material
From the themed collection: The Chemistry of Thermoelectric Materials
Paper

The effect of nickel doping on electron and phonon transport in the n-type nanostructured thermoelectric material CoSbS

The optimized carrier concentration, high effective mass and strong electron–phonon scattering for Ni doped CoSbS contribute to the enhanced ZT value.

Graphical abstract: The effect of nickel doping on electron and phonon transport in the n-type nanostructured thermoelectric material CoSbS
From the themed collection: The Chemistry of Thermoelectric Materials
Paper

Fine tuning of thermoelectric performance in phase-separated half-Heusler compounds

An efficiently designed microstructure leads to a record ZT value in p-type half-Heusler compounds.

Graphical abstract: Fine tuning of thermoelectric performance in phase-separated half-Heusler compounds
From the themed collection: The Chemistry of Thermoelectric Materials
Paper

Thermal stability of Mg2Si0.3Sn0.7 under different heat treatment conditions

Thermal stability of Sb-doped Mg2Si0.3Sn0.7 was studied by changing the heat treatment conditions (atmosphere, coating, temperature, and time).

Graphical abstract: Thermal stability of Mg2Si0.3Sn0.7 under different heat treatment conditions
From the themed collection: The Chemistry of Thermoelectric Materials
Paper

Ruthenium oxide as a thermoelectric material: unconventional thermoelectric properties of Li2RuO3

Ruthenium oxides are typical strongly correlated electron systems, where various ordering phenomena occur through delicate interplay among the charge, spin and orbital degrees of freedom.

Graphical abstract: Ruthenium oxide as a thermoelectric material: unconventional thermoelectric properties of Li2RuO3
Paper

Sb deficiencies control hole transport and boost the thermoelectric performance of p-type AgSbSe2

We demonstrate a new strategy to control the carrier transport in AgSbSe2 by introducing Sb deficiencies. Enhanced electrical conductivity and ultra-low thermal conductivity resulted a peak ZT value ∼1 at 610 K in Sb deficient AgSbSe2.

Graphical abstract: Sb deficiencies control hole transport and boost the thermoelectric performance of p-type AgSbSe2
From the themed collection: The Chemistry of Thermoelectric Materials
45 items

About this collection

Thermoelectrics are gaining increasing interests due to their important potential applications. Many novel thermoelectric materials have been developed by manipulating the doping, electronic structure, phonon structure and scattering, as well as microstructure. Chemistry affects all of these enabling, for example, the tuning and engineering of the electron band structure or phonon scattering. This collection broadly covers the chemistry aspects of thermoelectric materials including their synthesis and processing, chemical and microstructure characterization, transport measurements and theory and modelling of their physical properties.

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