Enhanced thermoelectric performance of phosphorene by strain-induced band convergence
Reads0
Chats0
TLDR
In this article, 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.Abstract:
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.read more
Citations
More filters
Journal ArticleDOI
Liquid exfoliation of solvent-stabilized few-layer black phosphorus for applications beyond electronics
Damien Hanlon,Claudia Backes,Evie Doherty,Clotilde S. Cucinotta,Nina C. Berner,Conor S. Boland,Kangho Lee,Andrew Harvey,Peter Lynch,Zahra Gholamvand,Saifeng Zhang,Kangpeng Wang,Kangpeng Wang,Glenn Moynihan,Anuj Pokle,Quentin M. Ramasse,Niall McEvoy,Werner J. Blau,Jun Wang,Gonzalo Abellán,Frank Hauke,Andreas Hirsch,Stefano Sanvito,David D. O'Regan,Georg S. Duesberg,Valeria Nicolosi,Jonathan N. Coleman +26 more
TL;DR: It is demonstrated that high-quality, few-layer BP nanosheets, with controllable size and observable photoluminescence, can be produced in large quantities by liquid phase exfoliation under ambient conditions in solvents such as N-cyclohexyl-2-pyrrolidone (CHP).
Journal ArticleDOI
Recent progress in 2D group-VA semiconductors: from theory to experiment
Shengli Zhang,Shiying Guo,Zhongfang Chen,Yeliang Wang,Hong-Jun Gao,Julio Gómez-Herrero,Pablo Ares,Félix Zamora,Zhen Zhu,Haibo Zeng +9 more
TL;DR: In this review, the latest theoretical and experimental progress made in the fundamental properties, fabrications and applications of 2D group-VA materials are explored, and perspectives and challenges for the future of this emerging field are offered.
Journal ArticleDOI
Black Phosphorus: Narrow Gap, Wide Applications
TL;DR: The recent isolation of atomically thin black phosphorus by mechanical exfoliation of bulk layered crystals has triggered an unprecedented interest, even higher than that raised by the first works on graphene and other two-dimensionals, in the nanoscience and nanotechnology community.
Journal ArticleDOI
Strain engineering in semiconducting two-dimensional crystals
Rafael Roldán,Andres Castellanos-Gomez,Emmanuele Cappelluti,Francisco Guinea,Francisco Guinea +4 more
TL;DR: An overview of the recent progress to control the optical and electronics properties of 2D crystals, by means of strain engineering, on semiconducting layered materials, with especial emphasis in transition metal dichalcogenides (MoS2, WS2, MoSe2 and WSe2).
Journal ArticleDOI
Strongly anisotropic in-plane thermal transport in single-layer black phosphorene
Ankit Jain,Alan J. H. McGaughey +1 more
TL;DR: In this paper, first principles calculations were used to predict the thermal conductivity of the two-dimensional materials black and blue phosphorene, and showed that the two allotropes show strikingly different thermal conductivities accumulation.