Enhanced thermoelectric performance of phosphorene by strain-induced band convergence
By H. Lv, W. Lu, D. Shao, Yuping Sun. 2014
244 citations recorded by the source corpus.
The newly emerging monolayer phosphorene was recently predicted to be a promising thermoelectric material. In this work, we propose to further enhance the thermoelectric performance of phosphorene using the strain-induced band convergence. The effect of the uniaxial strain on the thermoelectric properties of phosphorene was investigated by using the first-principles calculations combined with the semiclassical Boltzmann theory. When the zigzag-direction strain is applied, the Seebeck coefficient and electrical conductivity in the zigzag direction can simultaneously be greatly enhanced at the critical strain of 5%, at which the band convergence is achieved. The largest $ZT$ value of 1.65 at 300 K is then conservatively estimated by using the bulk lattice thermal conductivity. When the armchair-direction strain of 8% is applied, the room-temperature $ZT$ value can reach 2.12 in the armchair direction of phosphorene. Our results indicate that strain-induced band convergence could be an effective method to enhance the thermoelectric performance of phosphorene.
Subfields: Materials Chemistry
View Paper: https://www.semanticscholar.org/paper/338c1526072e3a142829ebeae456c8383fe592fd
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In Materials Chemistry
Citations in the corpus
- Recent Advances in the Study of Phosphorene and its Nanostructures (2017, methodology): “At the tensile strain of e D 5%, the electrical transport properties change dramatically: the electron mobility jumps by two orders of magnitude from m»60 cm2V¡1 s¡1 to m»4360 cm2V¡1 s¡1, and the Seebeck coefficient increases substantially.(144)”