On the tuning of electrical and thermal transport in thermoelectrics: an integrated theory–experiment perspective
During the last two decades, we have witnessed great progress in research on
thermoelectrics. There are two primary focuses. One is the fundamental understanding of …
thermoelectrics. There are two primary focuses. One is the fundamental understanding of …
Survey of ab initio phonon thermal transport
The coupling of lattice dynamics and phonon transport methodologies with density
functional theory has become a powerful tool for calculating lattice thermal conductivity (κ) …
functional theory has become a powerful tool for calculating lattice thermal conductivity (κ) …
First-principles study of anisotropic thermoelectric transport properties of IV-VI semiconductor compounds SnSe and SnS
Tin selenide (SnSe) and tin sulfide (SnS) have recently attracted particular interest due to
their great potential for large-scale thermoelectric applications. A complete prediction of the …
their great potential for large-scale thermoelectric applications. A complete prediction of the …
[HTML][HTML] Lattice thermal conductivity in β-Ga2O3 from first principles
The lattice thermal conductivity for bulk β-Ga 2 O 3 is computed from the phonon Boltzmann
transport equation using first-principles methods to obtain scattering rates. Force constants …
transport equation using first-principles methods to obtain scattering rates. Force constants …
Fiber‐based thermoelectric generators: materials, device structures, fabrication, characterization, and applications
Fiber‐based flexible thermoelectric energy generators are 3D deformable, lightweight, and
desirable for applications in large‐area waste heat recovery, and as energy suppliers for …
desirable for applications in large‐area waste heat recovery, and as energy suppliers for …
Accessing thermal conductivity of complex compounds by machine learning interatomic potentials
P Korotaev, I Novoselov, A Yanilkin, A Shapeev - Physical Review B, 2019 - APS
While lattice thermal conductivity is an important parameter for many technological
applications, its calculation is a time-consuming task, especially for compounds with a …
applications, its calculation is a time-consuming task, especially for compounds with a …
PEDOT-based composites as electrode materials for supercapacitors
Abstract Poly (3, 4-ethylenedioxythiophene)(denoted PEDOT) already has a brief history of
being used as an active material in supercapacitors. It has many advantages such as low …
being used as an active material in supercapacitors. It has many advantages such as low …
Weak-Bonding Elements Lead to High Thermoelectric Performance in BaSnS3 and SrSnS3: A First-Principles Study
SnS2, an earth-abundant and ecofriendly material, is limited as a thermoelectric material
because of the high lattice thermal conductivity κL and low carrier mobility μ. By introducing …
because of the high lattice thermal conductivity κL and low carrier mobility μ. By introducing …
First principles peierls-boltzmann phonon thermal transport: a topical review
L Lindsay - Nanoscale and Microscale Thermophysical …, 2016 - Taylor & Francis
The advent of coupled thermal transport calculations with interatomic forces derived from
density functional theory has ushered in a new era of fundamental microscopic insight into …
density functional theory has ushered in a new era of fundamental microscopic insight into …
Investigation on transport properties and anomalously heat-carrying optical phonons in KXY (X= Ca, Mg; Y= Sb, Bi)
In this work, we systematically studied the thermal transport properties of ternary zintl
compound KXY using self-consistent phonon theory combined with compressive sensing …
compound KXY using self-consistent phonon theory combined with compressive sensing …