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Oct 2026

Hierarchical Bonding Enables Dual-Channel Thermal Transport and Ultralow Lattice Thermal Conductivity in Zintl X2Te2 (X = Cs, Rb)

Zintl compounds are promising thermoelectric materials owing to their intrinsically low lattice thermal conductivity (κL), yet the microscopic origin of their thermal transport remains incompletely understood. Here, first-principles calculations combined with finite-temperature lattice dynamics, four-phonon scatterin...

Cheng-Chao Ye, Hao-Lin Pan, Yu Wu et al. · 0 citations
Preprint Aug 2026

Dimensionality Mismatch Enables Decoupled Heat and Charge Transport

Decoupling heat and charge transport is a key challenge in thermoelectrics. Here, we identify a route to spatially separate phonon and carrier transport in quasi-one-dimensional materials through high-throughput screening of the Materials Project database. Representative Sn$_2$S$_3$ and SbTeI exhibit a strong-intrachai...

Luman Shang, Shuming Zeng, Chen-Han Liu et al. · 0 citations

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