Diameter-dependent ultra-high thermoelectric performance of ZnO nanowires  

作　　者：聂祎楠 唐桂华 李一斐 张敏 赵欣 Yinan Nie;Guihua Tang;Yifei Li;Min Zhang;Xin Zhao(MOE Key Laboratory of Thermo-Fluid Science and Engineering,School of Energy and Power Engineering,Xi’an Jiaotong University,Xi’an 710049,China)

机构地区：[1]MOE Key Laboratory of Thermo-Fluid Science and Engineering,School of Energy and Power Engineering,Xi’an Jiaotong University,Xi’an 710049,China

出　　处：《Chinese Physics B》2024年第4期86-94,共9页中国物理B（英文版）

基　　金：Project supported by the National Natural Science Foundation of China (Grant Nos.52130604 and 51825604)。

摘　　要：Zinc oxide(ZnO)shows great potential in electronics,but its large intrinsic thermal conductivity limits its thermoelectric applications.In this work,we explore the significant carrier transport capacity and diameter-dependent thermoelectric characteristics of wurtzite-ZnO(0001)nanowires based on first-principles and molecular dynamics simulations.Under the synergistic effect of band degeneracy and weak phonon-electron scattering,P-type(ZnO)_(73) nanowires achieve an ultrahigh power factor above 1500μW·cm^(-1)·K^(-2)over a wide temperature range.The lattice thermal conductivity and carrier transport properties of ZnO nanowires exhibit a strong diameter size dependence.When the ZnO nanowire diameter exceeds 12.72A,the carrier transport properties increase significantly,while the thermal conductivity shows a slight increase with the diameter size,resulting in a ZT value of up to 6.4 at 700 K for P-type(ZnO)_(73).For the first time,the size effect is also illustrated by introducing two geometrical configurations of the ZnO nanowires.This work theoretically depicts the size optimization strategy for the thermoelectric conversion of ZnO nanowires.

关 键 词：ZnO nanowire size effect thermoelectric performance deformation potential theory 

分 类 号：O469[理学—凝聚态物理]