Heterostructures of phosphorene and transition metal dichalcogenides for excitonic solar cells: A first-principles study

Journal Article · Mon Mar 21 00:00:00 EDT 2016 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4944642· OSTI ID:22591470

Ganesan, Vellayappan Dheivanayagam; Shen, Lei ^[1]; Linghu, Jiajun; Zhang, Chun; Feng, Yuan Ping ^[2]

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1. Engineering Science Programme, National University of Singapore, 9 Engineering Drive 1, Singapore 117575 (Singapore)
2. Department of Physics, National University of Singapore, Singapore 117542 (Singapore)

Using the many-body perturbation GW theory, we study the quasiparticle conduction-band offsets of phosphorene, a two-dimensional atomic layer of black phosphorus, and transition-metal dichalcogenides (TMDs). The calculated large exciton binding energies of phosphorene and TMDs indicate that their type-II heterostructures are suitable for excitonic thin-film solar cell applications. Our results show that these heterojunctions have a potential maximum power conversion efficiency of up to 12%, which can be further enhanced up to 20% by strain engineering.

• OSTI ID: 22591470
• Journal Information: Applied Physics Letters, Vol. 108, Issue 12; Other Information: (c) 2016 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0003-6951
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
BINDING ENERGY
EFFICIENCY
HETEROJUNCTIONS
LAYERS
MANY-BODY PROBLEM
PERTURBATION THEORY
PHOSPHORUS
POTENTIALS
SOLAR CELLS
STRAINS
THIN FILMS
TRANSITION ELEMENTS
TWO-DIMENSIONAL SYSTEMS