Bilayer Phosphorene: Effect of Stacking Order on Bandgap and Its Potential Applications in Thin-Film Solar Cells.

By J. Dai, X. Zeng. Journal of Physical Chemistry Letters, 2014

798 citations recorded by the source corpus.

Phosphorene, a monolayer of black phosphorus, is promising for nanoelectronic applications not only because it is a natural p-type semiconductor but also because it possesses a layer-number-dependent direct bandgap (in the range of 0.3 to 1.5 eV). On basis of the density functional theory calculations, we investigate electronic properties of the bilayer phosphorene with different stacking orders. We find that the direct bandgap of the bilayers can vary from 0.78 to 1.04 eV with three different stacking orders. In addition, a vertical electric field can further reduce the bandgap to 0.56 eV (at the field strength 0.5 V/Å). More importantly, we find that when a monolayer of MoS2 is superimposed with the p-type AA- or AB-stacked bilayer phosphorene, the combined trilayer can be an effective solar-cell material with type-II heterojunction alignment. The power conversion efficiency is predicted to be ∼18 or 16% with AA- or AB-stacked bilayer phosphorene, higher than reported efficiencies of the state-of-the-art trilayer graphene/transition metal dichalcogenide solar cells.

Subfields: Electrical and Electronic Engineering, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/c7e862264f961c056b8845f3309df93079f0386e

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Electrical and Electronic Engineering

1. Yong‐Wei Zhang
2. Yongqing Cai
3. Gang Zhang
4. Z. Ong
5. V. Sorkin
6. Han Liu
7. Peide D. Ye
8. Xingzhu Chen

In Materials Chemistry

1. Yong‐Wei Zhang
2. Gang Zhang
3. Yongqing Cai
4. Z. Ong
5. V. Sorkin
6. Wee‐Jun Ong
7. Neng Li
8. Xingzhu Chen

Citations in the corpus

• The renaissance of black phosphorus (2015, neutral): “re (31–33), strain (5, 34–38), defects (39), intercalation (40), and structure varieties (blue phosphorus (41), phosphorus nanotube (42), phosphorus nanoribbon (43–47), and stacked bilayer phosphorus (48)), to characterization methods (49–51), stability and passivation methods (52–55), novel physics”
• Two-Dimensional Materials for Sensing: Graphene and Beyond (2015, neutral): “, [163,168–170] within the last year.”
• The rising star of 2D black phosphorus beyond graphene: synthesis, properties and electronic applications (2017, background): “However, the burgeoning challenge of graphene is zero band gap, thus TMDs (e.g. MoS2) have impelled spurred enormous highlights in scientific and technological societies in virtue of its promising attributes in the arena of electronic devices, chemical sensors, energy storage, artificial photosynthe”
• Black phosphorus-monolayer MoS2 van der Waals heterojunction p-n diode. (2014, background): “By further reducing the thickness of the black phosphorus to bilayer, it is possible to essentially enhance the EQE to up to 18%, according to theoretical predictions.(42)”