Nanostructured metal phosphides: from controllable synthesis to sustainable catalysis

SH Li, MY Qi, ZR Tang, YJ Xu - Chemical Society Reviews, 2021 - pubs.rsc.org
Metal phosphides (MPs) with unique and desirable physicochemical properties provide
promising potential in practical applications, such as the catalysis, gas/humidity sensor …

Single Rh atom decorated pristine and S-defected PdS2 monolayer for sensing thermal runaway gases in a lithium-ion battery: A first-principles study

S Zhai, X Jiang, D Wu, L Chen, Y Su, H Cui, F Wu - Surfaces and Interfaces, 2023 - Elsevier
This work using the first-principles theory studies the physicochemical properties Rh-
decorated pristine and S-defected PdS 2 monolayer, named Rh@ PdS 2 and Rh-PdS 2 …

Machine learning approach for the prediction and optimization of thermal transport properties

Y Ouyang, C Yu, G Yan, J Chen - Frontiers of Physics, 2021 - Springer
Traditional simulation methods have made prominent progress in aiding experiments for
understanding thermal transport properties of materials, and in predicting thermal …

KAgX (X= S, Se): high-performance layered thermoelectric materials for medium-temperature applications

XL Zhu, H Yang, WX Zhou, B Wang… - ACS applied materials …, 2020 - ACS Publications
Monolayer KAgX are a class of novel two-dimensional (2D) layered materials with efficient
optical absorption and superior carrier mobility, signifying their potential application prospect …

Unravelling the thermoelectric properties and suppression of bipolar effect under strain engineering for the asymmetric Janus SnSSe and PbSSe monolayers

S Bai, S Tang, M Wu, D Luo, J Zhang, D Wan… - Applied Surface …, 2022 - Elsevier
Inspired by the groundbreaking discovery of the two-dimensional (2D) MoSSe materials, the
electronic, thermal, and thermoelectric properties of asymmetric Janus SnSSe and PbSSe …

Ultra-low thermal conductivity and high thermoelectric performance of two-dimensional triphosphides (InP 3, GaP 3, SbP 3 and SnP 3): a comprehensive first …

Z Sun, K Yuan, Z Chang, S Bi, X Zhang, D Tang - Nanoscale, 2020 - pubs.rsc.org
By performing first-principles calculations combined with the Boltzmann transport equation,
we report a comprehensive study of the thermal and thermoelectric properties of monolayer …

Honeycomb-like puckered PbTe monolayer: A promising n-type thermoelectric material with ultralow lattice thermal conductivity

S Tang, M Wu, S Bai, D Luo, J Zhang, S Yang - Journal of Alloys and …, 2022 - Elsevier
Inspired by the superior thermoelectric performance of two-dimensional (2D) materials, the
electrical transport and thermoelectric properties of honeycomb-like puckered PbTe …

Thermoelectric investigation of transition metal oxide NiO2: A first principles study

AF Wani, B Rani, UB Sharopov… - … Journal of Energy …, 2022 - Wiley Online Library
The structural, electronic, and thermoelectric transport properties of two‐dimensional (2D)
NiO2 are investigated with the help of combined density functional theory and semi …

Honeycomb-like puckered PbSe with wide bandgap as promising thermoelectric material: a first-principles prediction

S Tang, S Bai, M Wu, D Luo, D Wang, S Yang… - Materials Today …, 2022 - Elsevier
Motivated by the superior thermoelectric performance of two-dimensional (2D) materials, the
thermoelectric properties of honeycomb-like puckered PbSe monolayer are theoretically …

SiH monolayer: A promising two‐dimensional thermoelectric material

AF Wani, B Rani, S Dhiman… - … Journal of Energy …, 2022 - Wiley Online Library
Stability and dynamics of structure, mechanical and thermoelectric properties of SiH
monolayer have been reported in this work. After confirming the stability apprehensions …