Occupied Outer Cationic Orbitals in Dimeric MX2‐Type BaSe2 Compound Lead to Reduced Thermal Conductivity and High Thermoelectric Performance
Jie Zhang,
Li Zhou,
Xiaohong Xia
et al.
Abstract:Decoupling electrical and thermal properties to enhance the figure of merit of thermoelectric materials underscores an in‐depth understanding of the mechanisms that govern the transfer of charge carriers. Typically, a factor that contributes to the optimization of thermal conductivity is often found to be detrimental to the electrical transport properties. Here, we systematically investigated 26 dimeric MX2‐type compounds (where M represents a metal and X represents a nonmetal element) to explore the influence… Show more
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