Enhanced Thermoelectric Performance in Black Phosphorene via Tunable Interlayer Twist

Autor: Bingchao Yang, Xiaobing Liu, Wencai Yi, Yangfan Cui, Shuai Duan, Xin Chen
Rok vydání: 2022
Předmět:
Zdroj: Small. 18:2204197
ISSN: 1613-6829
1613-6810
DOI: 10.1002/smll.202204197
Popis: Twist-angle two-dimensional (2D) systems are attractive in their exotic and tunable properties by the formation of the moiré superlattices, allowing easy access to manipulating intrinsic electrical and thermal properties. Here, the angle-dependent thermoelectric properties of twisted bilayer black phosphorene (tbBP) by first-principles calculations are reported. The simulations show that significantly enhanced Seebeck coefficient and power factor can be achieved in p-type tbBP due to merging of the multi-valley electronic states and flat moiré bands. Moreover, the twisted layers bring in a strong anharmonic phonon scattering and thus very low lattice thermal conductivity of 4.51 W m
Databáze: OpenAIRE
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