Mixed-valence CsCu4Se3: Large phonon anharmonicity driven by the hierarchy of the rigid [(Cu+) 4 (Se2–) 2](Se–) double anti-CaF2 layer and the soft Cs+ sublattice

N Ma, F Li, JG Li, X Liu, DB Zhang, YY Li… - Journal of the …, 2021 - ACS Publications
Crystalline solids that exhibit inherently low lattice thermal conductivity (κlat) have attracted a
great deal of attention because they offer the only independent control for pursuing a high …

High thermoelectric performance of Cu2Se-based thin films with adjustable element ratios by pulsed laser deposition

A Wang, Y Xue, J Wang, X Yang, J Wang, Z Li… - Materials Today …, 2022 - Elsevier
Abstract Copper selenide (Cu 2 Se) is a P-type thermoelectric (TE) semiconductor that is
environmentally friendly and has rich crust content and high cost performance–price ratio …

Thermoelectric Properties of Strained β-Cu2Se

W Cao, Z Wang, L Miao, J Shi… - ACS Applied Materials & …, 2021 - ACS Publications
In recent years, the high-temperature phase of Cu2Se, namely, β-Cu2Se, has attracted
increasing attention due to its outstanding thermoelectric efficiency. The Cu ions in β-Cu2Se …

Anharmonic phonon renormalization and thermoelectric properties of CsPbX 3 (X= Cl, Br, and I): first-principles calculations

Z Yao, W Cao, Z Wang, L Miao, J Shi… - Physical Chemistry …, 2023 - pubs.rsc.org
Halide perovskites with ultralow thermal conductivity have emerged as promising
candidates for thermoelectric materials. We study the lattice dynamics and thermoelectric …

Anomalous Thermal Conductivity and High Thermoelectric Performance of Cubic Antiperovskites K3IX(Se & Te)

S Zeng, L Guo, Z Huang, Q Shen, Y Zhao… - Chemistry of …, 2023 - ACS Publications
The performance of thermoelectric (TE) materials is restricted by the coupling between
electronic and phonon transport. On the basis of first-principles calculations, self-consistent …

First-principles study on phonon transport properties of MoTe2 and WTe2 monolayers in different phases

J Shen, D Han, B Zhang, R Cao, Y Liu, S Zheng… - Physica E: Low …, 2023 - Elsevier
Phase engineering of two-dimensional (2D) transition metal dichalcogenides (TMDC)
monolayer is a key method for manipulating the lattice thermal conductivity. In this paper, we …

Improved Thermoelectric Performance of p-Type Argyrodite Cu8GeSe6 via the Simultaneous Engineering of the Electronic and Phonon Transports

C Yang, Y Luo, Y Xia, T Fang, Z Du, X Li… - ACS Applied Materials …, 2022 - ACS Publications
Guided by the concept of “phonon-liquid electron-crystal”, many n-type argyrodite
compounds have been developed as candidates for thermoelectric (TE) materials. In recent …

Ultralow in-plane thermal conductivity in 2D magnetic mosaic superlattices for enhanced thermoelectric performance

Y Zhao, Z Li, Y Su, C Wu, Y Xie - ACS nano, 2022 - ACS Publications
Lowering thermal conductivity via introducing heterointerfaces of heterophase fillings (HPFs)
is a common strategy for optimizing thermoelectric performance, but it is always …

Theoretical Evaluation of the Persistence of Transverse Phonons across a Liquid-like Transition in Superionic Conductor KAg3Se2

C Wang, R Cheng, Y Chen - Chemistry of Materials, 2023 - ACS Publications
A fundamental understanding of unusual atomic dynamics and collective modes in
superionic conductors has been of great importance in improving renewable energy …

Manipulation of Rashba splitting and thermoelectric performance of MTe (M= Ge, Sn, Pb) via Te off-centering distortion

T Wang, K Hu, X Duan, J Zhang, JY Yang, L Liu - RSC advances, 2022 - pubs.rsc.org
The Rashba effect is an essential phenomenon in asymmetrical ferroelectric materials with
local dipole fields. Rashba spin splitting due to spin–orbit coupling in the asymmetrical 2D …