331 citations · 974 across the 16 of their papers we have counts for
9 papers · 1 filter
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…
The rhombohedral Sb2Se3 is also an intrinsic topological insulator
G. H. Cao, H. J. Liu, J. H. Liang +3
Topological insulators are new class of quantum materials, which have insulating energy gaps in bulk, but exhibit gapless edge states or surface states that are protected by time-r…
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…
Maximizing the thermoelectric performance of topological insulator Bi2Te3 films in the few-quintuple layer regime
Jinghua Liang, Long Cheng, Jie Zhang +2
Using first-principles calculations and Boltzmann theory, we explore the feasibility to maximize the thermoelectric figure of merit (ZT) of topological insulator Bi2Te3 films in th…
Effects of biaxial strain on the electronic structures and band topologies of group-V elemental monolayers
Jinghua Liang, Long Cheng, Jie Zhang +1
Using first-principles calculations, we systematically investigate the electronic structures and band topologies of four kinds of group-V elemental (P, As, Sb and Bi) monolayers wi…
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…
Phosphorene nanoribbon as a promising candidate for thermoelectric applications
J. Zhang, H. J. Liu, L. Cheng +6
In this work, the electronic properties of phosphorene nanoribbons with different width and edge configurations are studied by using density functional theory. It is found that the…
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…