典型文献
Defect engineering synergistically modulates power factor and thermal conductivity of CuGaTe2 for ultra-high thermoelectric performance
文献摘要：
The ternary chalcopyrite CuGaTe2 has emerged as a promising p-type thermoelectric material with its advantages of low cost,good stability,and non-toxic elements.However,its thermoelectric performance is limited by the intrinsic low electrical conductivity and high lattice thermal conductivity.In this work,A deficiency of Cu in Cu1-xGaTe2 semiconductors can be used to optimize the electrical properties by im-proving the carrier concentration and to reduce thermal conductivity through multi-scale phonon scat-tering,which is predicted and guided by the First-principles density functional theory calculations.The carrier concentration is increased to 1020,which compensates for the low electrical performance caused by the intrinsic low nH of CuGaTe2.The average power factor of Cu0.96GaTe2 reaches 106.3％higher than that of the original CuGaTe2.In addition,the lattice thermal conductivity of the defective samples is greatly reduced at high temperatures,which is mainly due to the reduction of sound speed and phonon scattering.All the above factors contribute to the highest dimensionless figure of merit(ZT)value of 1.23 at 823 K in Cu0.96GaTe2,which is 114％higher than the pristine CuGaTe2,and the average ZT is 171.4％higher.
文献关键词：
中图分类号：
作者姓名：
Zipei Zhang;Wenhao Li;Lu Yu;Sitong Wei;Shikai Wei;Zhen Ji;Weiyu Song;Shuqi Zheng
作者机构：
State Key Laboratory of Heavy Oil Processing,College of New Energy and Materials,China University of Petroleum,Beijing 102249,China;College of Science,China University of Petroleum,Beijing 102249,China
文献出处：
引用格式：
[1]Zipei Zhang;Wenhao Li;Lu Yu;Sitong Wei;Shikai Wei;Zhen Ji;Weiyu Song;Shuqi Zheng-.Defect engineering synergistically modulates power factor and thermal conductivity of CuGaTe2 for ultra-high thermoelectric performance)[J].材料科学技术（英文版）,2022(33):213-220
A类：
CuGaTe2,xGaTe2,96GaTe2
B类：
Defect,engineering,synergistically,modulates,power,thermal,conductivity,ultra,thermoelectric,performance,ternary,chalcopyrite,has,emerged,promising,type,material,its,advantages,low,cost,good,stability,toxic,elements,However,limited,by,intrinsic,electrical,lattice,In,this,work,deficiency,Cu1,semiconductors,can,be,optimize,properties,proving,carrier,concentration,through,multi,scale,phonon,which,predicted,guided,First,principles,density,functional,theory,calculations,increased,compensates,caused,nH,average,Cu0,reaches,higher,than,that,original,addition,defective,samples,greatly,reduced,temperatures,mainly,due,reduction,sound,speed,scattering,All,above,factors,contribute,highest,dimensionless,figure,merit,ZT,value,pristine
AB值：
0.512537
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