First-Principles Investigation of Simultaneous Thermoelectric Power Generation and Active Cooling in a Bifunctional Semimetal ZrSeTe Janus Structure
Brahim Marfoua,
Jisang Hong
Abstract:Traditional thermoelectric materials often face a trade-off between efficient power generation (high ZT) and cooling performance. Here, we explore the potential of achieving simultaneous thermoelectric power generation and cooling capability in the recently fabricated bulk ZrSeTe Janus structure using first-principles density functional theory (DFT). The layered ZrSeTe Janus structure exhibits a semimetal character with anisotropic transport properties along the in-plane and out-of-plane directions. Our DFT ca… Show more
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