Occupied Outer Cationic Orbitals in Dimeric MX_2-Type BaSe_2 Compound Lead to Reduced Thermal Conductivity and High Thermoelectric Performance-Energy & Environmental Materials2025年01期-手机知网

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Occupied Outer Cationic Orbitals in Dimeric MX_2-Type BaSe_2 Compound Lead to Reduced Thermal Conductivity and High Thermoelectric Performance

Ministry-of-Education Key Laboratory for the Green Preparation and Application of Functional Materials, School of Materials Science and Engineering, Hubei University;School of Physics, Hubei University | Jie Zhang Li Zhou Xiaohong Xia Yun Gao Zhongbing Huang

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Decoupling electrical and thermal properties to enhance the figure of merit of thermoelectric materials underscores an in-dep...

机　构:

Ministry-of-Education Key Laboratory for the Green Preparation and Application of Functional Materials, School of Materials Science and Engineering, Hubei University；School of Physics, Hubei University；

领　域:

材料科学；

关键词:

anisotropic electrical and thermal transport；density functional theory；dimeric MX_2-type compounds；energy materials；ionic compound BaSe_2 and BaAs；simulation；thermoelectrics；

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Energy & Environmental Materials

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