First Principles Intrinsic ZT=2.15 Found in an Antimonene Layer

by Tommy on 27/05/2017

Bismuthene should be even better.

Excellent Thermoelectric Performance Predicted in Two-Dimensional Buckled Antimonene: a First-Principles Study, Kai-Xuan Chen, Shu-Shen Lyu, Xiao-Ming Wang, Yuan-Xiang Fu, Yi Heng and Dong-Chuan Mo, J. Phys. Chem. C (22 May 2017), DOI:10.1021/acs.jpcc.7b03129

Nowadays, new emerging two-dimensional (2D) materials have become a hot topic in the field of theoretical physics, material science and nanotechnology engineering due to their high surface area, planar structure and quantum confinement effect. Within two-dimensional framework, we systematically concentrate on the buckled and puckered systems consisting of the VA group elements (denoted as arsenene, antimonene and bismuthene). Among these studied systems, the buckled antimonene harbors a thermoelectric figure of merit (ZT) of 2.15 at room temperature. This is probably the highest value that has ever been reported in pristine 2D materials. By simple biaxial strain engineering, the ZT can even get enhanced to 2.9 under 3% tensile strain. The enhancement mainly results from both tuning the electronic structures and reducing the thermal conductance. This work predicts a new promising candidate in thermoelectric devices, based on the fact that buckled antimonene has been lately fabricated and proved to be stable at ambient conditions.

Bring it on.

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