维普中文期刊产品整合服务

Electronic Orbital Alignment and Hierarchical Phonon Scattering Enabling High Thermoelectric Performance p-Type Mg_(3)Sb_(2) Zintl Compounds

查看全文 作　　者：Jinsuo [1]Hu;Jianbo [1]Zhu;Fengkai [1]Guo;Haixu [1]Qin;Yijie [2]Liu;Qian [2]Zhang;Zihang [1]Liu;Wei [1]Cai;Jiehe [1]Sui 高影响力作者 机构地区：[1]State Key Laboratory of Advanced Welding and Joining,Harbin Institute of Technology,Harbin 150001,China;[2]Department of Materials Science and Engineering,Harbin Institute of Technology,Shenzhen 518055,China高影响力机构 出　　处：《Research》索引2022年第4期,共12页高影响力期刊 基　　金：This work was funded by the National Natural Science Foundation of China(Nos.52130106,51871082,and 52101247);the Natural Science Foundation of Heilongjiang Province of China(No.ZD 2020E003);the Heilongjiang Touyan Innovation Team Program.Thanks to the support from the Fundamental Research Funds for the Central Universities(FRFCU5710053021 and HIT.OCEF.2021014). 摘　　要：Environmentally friendly Mg_(3)Sb_(2)-based materials have drawn intensive attention owing to their promising thermoelectric performance.In this work,the electrical properties of p-type Mg_(3)Sb_(2) are dramatically optimized by the regulation of Mg deficiency.Then,we,for the first time,found that Zn substitution at the Mg2 site leads to the alignment of px,y and pz orbital,resulting in a high band degeneracy and the dramatically enhanced Seebeck coefficient,demonstrated by the DFT calculations and electronic properties measurement.Moreover,Zn alloying decreases Mg1(Zn)vacancies formation energy and in turn increases Mg(Zn)vacancies and optimizes the carrier concentration.Simultaneously,the Mg/Zn substitutions,Mg vacancies,and porosity structure suppress the phonon transport in a broader frequency range,leading to a low lattice thermal conductivity of~0.47 W m^(-1) K^(-1) at 773 K.Finally,a high ZT of~0.87 at 773 K was obtained for Mg_(1.95)Na_(0.01)Zn_(1)Sb_(2),exceeding most of the previously reported p-type Mg_(3)Sb_(2) compounds.Our results further demonstrate the promising prospects of p-type Mg_(3)Sb_(2)-based material in the field of mid-temperature heat recovery. 关 键 词：ALLOYING ORBITAL EXCEEDING
相关文献

参考文献(70)

耦合文献(16)

网站首页 | 关于我们 | 联系我们 | 产品服务 | 客服中心 | 广告服务 | 版权声明 | 网站联盟 | 友情链接 | 售卡网点

版权所有© 渝B2-20050021-1　渝公网安备 50019002500403号　违法和不良信息举报中心

互联网出版许可证 新出网证(渝)字10号 全国400电话 - 免长途话费