Thermoelectric properties study on the BN nanoribbons via BoltzTrap first-principles
Xiangqian Jiang, Chuncheng Ban, Ling Li, Chong Wang, Weiping Chen, Xiaowei Liu
Abstract
Thermoelectric materials have attracted the attention of scientists because they directly convert waste heat of electric energy into valuable electrical energy. In recent years, the boron nitride structure has attracted much attention due to its thermoelectric properties and environmental friendliness. In this paper, the thermoelectric properties of boron nitride nanoribbons were simulated and analyzed, discovering that the figure-of-merit (ZT) value of armchair boron nitride nanoribbons is much better than that of zigzag boron nitride nanoribbons. Subsequently, we discuss the bandwidth effects and edge chirality on two important thermoelectric properties, Seebeck coefficient and ZT. Although edge passivation has been carried out, different edge chiralities still have a significant impact on carrier transport. The development of boron nitride-based materials will clarify their potential for developing high performance next generation thermoelectric devices.