331 citations · 974 across the 16 of their papers we have counts for
6 papers · 1 filter
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…
High thermoelectric performance can be achieved in black phosphorus
J. Zhang, H. J. Liu, L. Cheng +6
Few-layer black phosphorus has recently emerged as a promising candidate for novel electronic and optoelectronic device. Here we demonstrate by first-principles calculations and Bo…
Tuning the carrier concentration to improve the thermoelectric performance of CuInTe2 compound
J. Wei, H. J. Liu, L. Cheng +5
The electronic and transport properties of CuInTe2 chalcopyrite are investigated using density functional calculations combined with Boltzmann theory. The band gap predicted from h…
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…