133 citations · 291 across the 14 of their papers we have counts for
6 papers · 1 filter
Phonon-limited electrical transport properties of intermetallic compound YbAl3 from first-principles calculations
Jinghua Liang, Dengdong Fan, Peiheng Jiang +2
We combine first-principles calculations and Boltzmann transport theory to study the electrical transport properties of intermetallic compound YbAl3. To accurately predict the elec…
Thermoelectric properties of graphyne from first-principles calculations
P. H. Jiang, H. J. Liu, L. Cheng +4
The two-dimensional graphene-like carbon allotrope, graphyne, has been recently fabricated and exhibits many interesting electronic properties. In this work, we investigate the the…
Thermal conductivities of phosphorene allotropes from first-principle calculations: a comparative study
J. Zhang, H. J. Liu, L. Cheng +5
Phosphorene has attracted tremendous interest recently due to its intriguing electronic properties. However, the thermal transport properties of phosphorene, especially for its all…
Enhanced thermoelectric performance of carbon nanotubes at elevated temperature
P. H. Jiang, H. J. Liu, D. D. Fan +5
The electronic and transport properties of (10, 0) single-walled carbon nanotube are studied by performing the first-principles calculations and semi-classical Boltzmann theory. It…
Graphdiyne: a two-dimensional thermoelectric material with high figure of merit
L. Sun, P. H. Jiang, H. J. Liu +6
As a new carbon allotrope, the recently fabricated graphdiyne has attracted much attention due to its interesting two-dimensional character. Here we demonstrate by multiscale compu…
MoS2 nanoribbons as promising thermoelectric materials
D. D. Fan, H. J. Liu, L. Cheng +3
The thermoelectric properties of MoS2 armchair nanoribbons with different width are studied by using first-principles calculations and Boltzmann transport theory, where the relaxat…