Methods for the Preparation of Ternary Compounds

Berger, Lev I.; Prochukhan, V. D.

doi:10.1007/978-1-4757-0040-4_3

Cited by 2 publications

(5 citation statements)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…where γ is the Gruneisen constant (γ = 0.75) 64 assuming the same zincblende-like structure as ZnSe. The A (A = 3.04 × 10 −6 ) value and the Debye temperature Θ (Θ = 131 K) of Cu 3 SbSe 4 are used for estimating κ L,min .…”

Section: Resultsmentioning

confidence: 99%

“…The A (A = 3.04 × 10 −6 ) value and the Debye temperature Θ (Θ = 131 K) of Cu 3 SbSe 4 are used for estimating κ L,min . 64,65 The average atom mass (M av ) is 54.7 in an atomic mass unit, and the volume per atom is defined as δ 3 ; here, the δ = 2.71 Å. The n value (n = 8) 65 is the number of atoms in the primitive unit cell.…”

Section: Resultsmentioning

confidence: 99%

“…However, the lattice part (κ L ) and heat capacity ( C p ) data show little scattering above ∼720 K for each material, probably due to the random distribution of the impurity-phase Te in the CTS matrix. The dotted blue line in Figure e represents the minimum κ L,min estimated using the Slack and Morelli model, , assuming that only the interactions among the phonons via anharmonic Umklapp processes are important. , where γ is the Grüneisen constant (γ = 0.75) assuming the same zincblende-like structure as ZnSe. The A ( A = 3.04 × 10 –6 ) value and the Debye temperature Θ (Θ = 131 K) of Cu 3 SbSe 4 are used for estimating κ L,min . , The average atom mass ( M av ) is 54.7 in an atomic mass unit, and the volume per atom is defined as δ 3 ; here, the δ = 2.71 Å.…”

Section: Resultsmentioning

confidence: 99%

“…The dotted blue line in Figure e represents the minimum κ L,min estimated using the Slack and Morelli model, , assuming that only the interactions among the phonons via anharmonic Umklapp processes are important. , where γ is the Grüneisen constant (γ = 0.75) assuming the same zincblende-like structure as ZnSe. The A ( A = 3.04 × 10 –6 ) value and the Debye temperature Θ (Θ = 131 K) of Cu 3 SbSe 4 are used for estimating κ L,min . , The average atom mass ( M av ) is 54.7 in an atomic mass unit, and the volume per atom is defined as δ 3 ; here, the δ = 2.71 Å. The n value ( n = 8) is the number of atoms in the primitive unit cell.…”

Section: Resultsmentioning

confidence: 99%

See 3 more Smart Citations

Remarkable Improvement of Thermoelectric Performance in Ga and Te Cointroduced Cu₃SnS₄

Luo

et al. 2021

Inorg. Chem.

View full text Add to dashboard Cite

Ternary sulfide Cu 3 SnS 4 (CTS) receives growing interest in photocatalytic and gas sensing applications; however, limited attention has been paid to the application in thermoelectrics in virtue of its intrinsic high carrier concentration. In this work, a high figure of merit of Ga (ZT) and Te cointroduced CTS with the composition of (Cu 3 SnS 4 ) 1−x (Ga 2 Te 3 ) x (x = 0.105) has been realized via synergistic optimization of the electronic and thermal transport properties. The incorporation of Ga into CTS results in a downshift of both the conduction and valence bands, which effectively promotes the active hybridization of Sn 5s and S 3p orbitals near the Fermi level (E F ) and optimizes the carrier concentration. In the meantime, the lattice thermal conductivity (κ L ) generally decreases on account of the local internal distortion induced by Ga(Te) substitution at the Cu(S) site. Moreover, the phonon transport is greatly suppressed above ∼725 K attributed to the melting of the second-phase Te on the grain boundaries. Consequently, the highest ZT value of ∼0.96 is obtained at 798 K. This value is ∼3.6 times that of the pristine CTS and ranks the highest in the CTS system to date.

show abstract

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

See 2 more Smart Citations

Remarkable Improvement of Thermoelectric Performance in Ga and Te Cointroduced Cu₃SnS₄

Luo

et al. 2021

Inorg. Chem.

View full text Add to dashboard Cite

show abstract

“…Plot of lattice thermal conductivity (κ L ) vs maximum anisotropic atomic displacement parameter ( U aniso ) of Cu atoms (except for Ag in AgBi 3 S 5 ) of state-of-the-art Cu-based sulfides with the cationic coordination environment. − Plot of κ L vs U iso is represented in Figure S1.…”

Section: Introductionmentioning

confidence: 99%

Three-Fold Coordination of Copper in Sulfides: A Blockade for Hole Carrier Delocalization but a Driving Force for Ultralow Thermal Conductivity

Maji,

Raveau,

Lemoine

et al. 2024

J. Am. Chem. Soc.

View full text Add to dashboard Cite

Copper-rich sulfides are very promising for energy conversion applications due to their environmental compatibility, cost effectiveness, and earth abundance. Based on a comparative analysis of the structural and transport properties of Cu 3 BiS 3 with those of tetrahedrite (Cu 12 Sb 4 S 13 ) and other Cu-rich sulfides, we highlight the role of the cationic coordination types and networks on the electrical and thermal properties. By precession-assisted 3D electron diffraction analysis, we find very high anisotropic thermal vibration of copper attributed to its 3-fold coordination, with an anisotropic atomic displacement parameter up to 0.09 Å 2 . Density functional theory calculations reveal that these Cu atoms are weakly bonded and give rise to low-energy Einstein-like vibrational modes that strongly scatter heat-carrying acoustic phonons, leading to ultralow thermal conductivity. Importantly, we demonstrate that the 3-fold coordination of copper in Cu 3 BiS 3 and in other copper-rich sulfides constituted of interconnected CuS 3 networks causes a hole blockade. This phenomenon hinders the possibility of optimizing the carrier concentration and electronic properties through mixed valency Cu + /Cu 2+ , differently from tetrahedrite and most other copper-rich chalcogenides, where the main interconnected Cu−S network is built of CuS 4 tetrahedra. The comparison with various copper-rich sulfides demonstrates that seeking for frameworks characterized by the coexistence of tetrahedral and 3-fold coordinated copper is very attractive for the discovery of efficient thermoelectric copper-rich sulfides. Considering that lattice vibrations and carrier concentration are key factors for engineering transport phenomena (electronic, phonon, ionic, etc.) in copper-rich chalcogenides for various types of applications, our findings improve the guidelines for the design of materials enabling sustainable energy solutions with wide-ranging applications.

show abstract

Methods for the Preparation of Ternary Compounds

Cited by 2 publications

References 0 publications

Remarkable Improvement of Thermoelectric Performance in Ga and Te Cointroduced Cu₃SnS₄

Remarkable Improvement of Thermoelectric Performance in Ga and Te Cointroduced Cu₃SnS₄

Three-Fold Coordination of Copper in Sulfides: A Blockade for Hole Carrier Delocalization but a Driving Force for Ultralow Thermal Conductivity

Contact Info

Product

Resources

About

Methods for the Preparation of Ternary Compounds

Cited by 2 publications

References 0 publications

Remarkable Improvement of Thermoelectric Performance in Ga and Te Cointroduced Cu3SnS4

Remarkable Improvement of Thermoelectric Performance in Ga and Te Cointroduced Cu3SnS4

Three-Fold Coordination of Copper in Sulfides: A Blockade for Hole Carrier Delocalization but a Driving Force for Ultralow Thermal Conductivity

Contact Info

Product

Resources

About

Remarkable Improvement of Thermoelectric Performance in Ga and Te Cointroduced Cu₃SnS₄

Remarkable Improvement of Thermoelectric Performance in Ga and Te Cointroduced Cu₃SnS₄