title: A theoretical prediction of super high-performance thermoelectric materials based on MoS2/WS2 hybrid nanoribbons.
abstract: Modern society is hungry for electrical power. To improve the efficiency of energy harvesting from heat, extensive efforts seek high-performance thermoelectric materials that possess large differences between electronic and thermal conductance. Here we report a super high-performance material of consisting of MoS2/WS2 hybrid nanoribbons discovered from a theoretical investigation using nonequilibrium Green's function methods combined with first-principles calculations and molecular dynamics simulations. The hybrid nanoribbons show higher efficiency of energy conversion than the MoS2 and WS2 nanoribbons due to the fact that the MoS2/WS2 interface reduces lattice thermal conductivity more than the electron transport. By tuning the number of the MoS2/WS2 interfaces, a figure of merit ZT as high as 5.5 is achieved at a temperature of 600 K. Our results imply that the MoS2/WS2 hybrid nanoribbons have promising applications in thermal energy harvesting.
authors.affiliation: School of Physics and Optoelectronics, Xiangtan University, Xiangtan 411105, Hunan, P.R. China.
authors.forename: Zhongwei
authors.initials: Z
authors.lastname: Zhang
authors.affiliation: School of Physics and Optoelectronics, Xiangtan University, Xiangtan 411105, Hunan, P.R. China.
authors.forename: Yuee
authors.initials: Y
authors.lastname: Xie
authors.affiliation: Department of Mechanical, Aerospace and Nuclear Engineering, Rensselaer Polytechnic Institute, Troy, NY, 12180, USA.
authors.forename: Qing
authors.initials: Q
authors.lastname: Peng
authors.affiliation: School of Physics and Optoelectronics, Xiangtan University, Xiangtan 411105, Hunan, P.R. China.
authors.forename: Yuanping
authors.initials: Y
authors.lastname: Chen