Origin of ultra-low lattice thermal conductivity in Cs2BiAgX6 (X= Cl, Br) and its impact on thermoelectric performance
We have explored electronic and thermoelectric properties of bismuth-based double-
perovskite halides Cs 2 BiAgX 6 (X= Cl, Br) by using first principles calculations. The …
perovskite halides Cs 2 BiAgX 6 (X= Cl, Br) by using first principles calculations. The …
Ab Initio-Based Bond Order Potential to Investigate Low Thermal Conductivity of Stanene Nanostructures
We introduce a bond order potential (BOP) for stanene based on an ab initio derived training
data set. The potential is optimized to accurately describe the energetics, as well as thermal …
data set. The potential is optimized to accurately describe the energetics, as well as thermal …
Doob's Lagrangian: A Sample-Efficient Variational Approach to Transition Path Sampling
Y Du, M Plainer, R Brekelmans, C Duan, F Noé… - ar**-induced grain refinement contributes to enhanced thermoelectric performance of n-type PbSe at room temperature
C Zhao, Q Deng, W Yuan, X An, W Su, Z He… - Journal of Materials …, 2024 - pubs.rsc.org
Grain refinement is a successful strategy to depress lattice thermal conductivity and improve
the performance of thermoelectric materials, while it often requires complex processing …
the performance of thermoelectric materials, while it often requires complex processing …
Hierarchical nano-/micro-architecture phonon scattering of p-type Bismuth telluride bulk composites with Ag-TiO2 nano particles synthesized by fluidized bed spray …
We optimize the thermoelectric (TE) properties by minimizing thermal conductivity utilizing
by hierarchical phonon scattering from long to mid wavelength of phonon in p-type Bi 0.4 Sb …
by hierarchical phonon scattering from long to mid wavelength of phonon in p-type Bi 0.4 Sb …
Layered tin chalcogenides SnS and SnSe: Lattice thermal conductivity benchmarks and thermoelectric figure of merit
J Rundle, S Leoni - The Journal of Physical Chemistry C, 2022 - ACS Publications
Tin sulfide (SnS) and tin selenide (SnSe) are attractive materials for thermoelectric
conversion applications. Favorable small band gap, high carrier mobility, large Seebeck …
conversion applications. Favorable small band gap, high carrier mobility, large Seebeck …
Transition path sampling with boltzmann generator-based mcmc moves
Sampling all possible transition paths between two 3D states of a molecular system has
various applications ranging from catalyst design to drug discovery. Current approaches to …
various applications ranging from catalyst design to drug discovery. Current approaches to …
Synergistic Approach Toward a Reproducible High zT in n-Type and p-Type Superionic Thermoelectric Ag2Te
Recently, superionic thermoelectrics have attracted enormous attention due to their ultralow
thermal conductivity and high figure-of-merit (zT). However, their high zT is generally …
thermal conductivity and high figure-of-merit (zT). However, their high zT is generally …
Thickness effects for thermoelectric property of antimony telluride nanoplatelets via solvothermal method
Nanostructures have the potential to exhibit good thermoelectric properties by tuning and
controlling their size and thickness, and the competing electrical and thermal properties can …
controlling their size and thickness, and the competing electrical and thermal properties can …