Reduction of thermal conductivity in dually doped ZnO by design of three-dimensional stacking faults
Reduction of thermal conductivity in dually doped ZnO by design of three-dimensional stacking faults
复制标题
DOI：
10.1039/c3ra44223c
复制
发表时间：
2014
期刊：
影响因子：
3.9
通讯作者：
H. Takemoto;K. Fugane;P. Yan;J. Drennan;M. Saito;T. Mori;H. Yamamura
中科院分区：
文献类型：
--
作者：
H. Takemoto;K. Fugane;P. Yan;J. Drennan;M. Saito;T. Mori;H. Yamamura
以纤锌矿结构的ZnO基热电材料为例，介绍了一种制备高质量热电材料的设计范例。为了在ZnO微结构中制备三维层错，在原子模拟的指导下，选择Ga 2 O3和In 2 O3作为纤锌矿ZnO的掺杂氧化物。TEM显微分析实验证实了少量Ga 2 O3和In 2 O3双掺杂ZnO微结构中存在沿着基面（即{0001}）和沿基面（即{10-14}）两种层错。此外，EDS分析结果表明，在堆垛层错，这是我们的原子模拟结果预测的掺杂剂偏析效果。通过改变掺杂水平，发现具有密集三维堆垛层错的（Ga 0.004，In 0.004）Zn 0.992 O在本工作中显示出低的晶格热导率（在773 K时为1.7 W m-1 K-1）和高的热电性能（在773 K时ZT为0.19）。基于所有的实验结果，预计原子模拟，微观分析和工艺路线设计相结合的方法将为我们提供一个很好的机会，设计的三维堆垛层错的高性能的ZnO微结构。
A design paradigm for fabrication of high quality thermoelectric material was demonstrated by using wurtzite ZnO based materials. To prepare the three-dimensional stacking faults in the microstructure of ZnO, Ga2O3 and In2O3 which were guided by atomistic simulation were selected as doping oxides in wurtzite ZnO. TEM microanalysis experimentally confirmed two kinds of stacking faults which were along the basal-plane (i.e. {0001}) and pyramidal-plane (i.e. {10–14}) in the microstructure of ZnO dually doped with small amount of Ga2O3 and In2O3. Also, EDS analysis results indicated the dopant segregation effect at stacking faults which was predicted by our atomistic simulation results. By varying doping levels, it was found that the (Ga0.004, In0.004)Zn0.992O with dense three-dimensional stacking faults revealed low lattice thermal conductivity (1.7 W m−1 K−1 at 773 K) and high thermo-electric performance (ZT: 0.19 at 773 K) in the present work. Based on all experimental results, it is expected that the combined method of atomistic simulation, microanalysis and processing route design will provide us great opportunity for design of three-dimensional stacking faults in the microstructure of ZnO with high performance.