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In this work, a LaB6‐alloying strategy is reported to effectively boost the figure‐of‐merit (ZT) of Ge0.92Bi0.08Te‐based alloys up to ≈2.2 at 723 K, attributed to a synergy of La‐dopant induced band structuring and structural manipulation. Density‐function‐theory calculations reveal that La dopant enlarges the bandgap and converges the energy offset between the sub‐valence bands in cubic‐structured...
Mn alloying in thermoelectrics is a long‐standing strategy for enhancing their figure‐of‐merit through optimizing electronic transport properties by band convergence, valley perturbation, or spin‐orbital coupling. By contrast, mechanisms by which Mn contributes to suppressing thermal transports, namely thermal conductivity, is still ambiguous. A few precedent studies indicate that Mn introduces a...
Phase engineering through chemical modification can significantly alter the properties of transition‐metal dichalcogenides, and allow the design of many novel electronic, photonic, and optoelectronics devices. The atomic‐scale mechanism underlying such phase engineering is still intensively investigated but elusive. Here, advanced electron microscopy, combined with density functional theory calculations,...
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