87 citations · 190 across the 7 of their papers we have counts for
7 papers
Effects of topological edge states on the thermoelectric properties of Bi nanoribbons
L. Cheng, H. J. Liu, J. H. Liang +4
Using first-principles calculations combined with Boltzmann transport theory, we investigate the effects of topological edge states on the thermoelectric properties of Bi nanoribbo…
Understanding the electronic and phonon transport properties of thermoelectric material BiCuSeO: a first-principles study
D. D. Fan, H. J. Liu, L. Cheng +5
Using first-principles pseudopotential method and Boltzmann transport theory, we give a comprehensive understanding of the electronic and phonon transport properties of thermoelect…
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…
Molecular dynamics simulations of the lattice thermal conductivity of CuInTe2
J. Wei, H. J. Liu, L. Cheng +5
The lattice thermal conductivity of thermoelectric material CuInTe2 is predicted using classical molecular dynamics simulations, where a simple but effective Morse-type interatomic…
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…
High thermoelectric performance of distorted Bismuth (110) layer
L. Cheng, H. J. Liu, J. Zhang +6
The thermoelectric properties of distorted bismuth (110) layer are investigated using first-principles calculations combined with the Boltzmann transport equation for both electron…
Effects of van der Waals interactions and quasiparticle corrections on the electronic and transport properties of Bi2Te3
L. Cheng, H. J. Liu, J. Zhang +4
We present a theoretical study of the structural, electronic and transport properties of bulk Bi2Te3 within density functional theory taking into account the van der Waals interact…