Near-infrared and visible-range optoelectronics in 2D hybrid perovskite/transition metal dichalcogenide heterostructures

Abin Varghese; Yuefeng Yin; Mingchao Wang; Saurabh Lodha; Nikhil V. Medhekar

doi:10.1002/admi.202102174

Near-infrared and visible-range optoelectronics in 2D hybrid perovskite/transition metal dichalcogenide heterostructures

Abin Varghese, Yuefeng Yin, Mingchao Wang, Saurabh Lodha, Nikhil V. Medhekar

Materials Science & Engineering

Research output: Contribution to journal › Article › Research › peer-review

6 Citations (Scopus)

Abstract

The application of ultrathin 2D perovskites in near-infrared and visible-range optoelectronics is limited owing to their inherent wide bandgaps, large excitonic binding energies, and low optical absorption at higher wavelengths. Here, it is shown that by tailoring interfacial band alignments via conjugation with low-dimensional materials like monolayer transition metal dichalcogenides (TMD), the functionalities of 2D perovskites can be extended to diverse, visible-range photophysical applications. Based on the choice of individual constituents in the 2D perovskite/TMD heterostructures, first principles calculations demonstrate widely tunable type-II bandgaps, carrier effective masses, and band offsets to enable an effective separation of photogenerated excitons for enhanced photodetection and photovoltaic applications. In addition, the possibilities of achieving a type-I band alignment for recombination-based light emitters as well as a type-III configuration for tunneling devices are shown. Further, the effect of strain on the electronic properties of the heterostructures are evaluated to show a significant strain tolerance, making them prospective candidates in flexible photosensors.

Original language	English
Article number	2102174
Number of pages	11
Journal	Advanced Materials Interfaces
Volume	9
Issue number	14
DOIs	https://doi.org/10.1002/admi.202102174
Publication status	Published - 13 May 2022

Keywords

2D perovskite
density functional theory
heterostructures
optoelectronics
transition metal dichalcogenides

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1002/admi.202102174

Cite this

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title = "Near-infrared and visible-range optoelectronics in 2D hybrid perovskite/transition metal dichalcogenide heterostructures",

abstract = "The application of ultrathin 2D perovskites in near-infrared and visible-range optoelectronics is limited owing to their inherent wide bandgaps, large excitonic binding energies, and low optical absorption at higher wavelengths. Here, it is shown that by tailoring interfacial band alignments via conjugation with low-dimensional materials like monolayer transition metal dichalcogenides (TMD), the functionalities of 2D perovskites can be extended to diverse, visible-range photophysical applications. Based on the choice of individual constituents in the 2D perovskite/TMD heterostructures, first principles calculations demonstrate widely tunable type-II bandgaps, carrier effective masses, and band offsets to enable an effective separation of photogenerated excitons for enhanced photodetection and photovoltaic applications. In addition, the possibilities of achieving a type-I band alignment for recombination-based light emitters as well as a type-III configuration for tunneling devices are shown. Further, the effect of strain on the electronic properties of the heterostructures are evaluated to show a significant strain tolerance, making them prospective candidates in flexible photosensors.",

keywords = "2D perovskite, density functional theory, heterostructures, optoelectronics, transition metal dichalcogenides",

author = "Abin Varghese and Yuefeng Yin and Mingchao Wang and Saurabh Lodha and Medhekar, {Nikhil V.}",

note = "Funding Information: The authors gratefully acknowledge computational support from the Australian National Computing Infrastructure (NCI) and Pawsey supercomputing facility for high performance computing. Y.Y. and N.V.M. acknowledge the support from the Australian Research Council (CE170100039). S.L. acknowledges support from the Department of Science and Technology, Government of India through its SwarnaJayanti fellowship scheme (Grant No. DST/SJF/ETA‐01/2016‐17). Publisher Copyright: {\textcopyright} 2022 The Authors. Advanced Materials Interfaces published by Wiley-VCH GmbH.",

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AU - Varghese, Abin

AU - Yin, Yuefeng

AU - Wang, Mingchao

AU - Lodha, Saurabh

AU - Medhekar, Nikhil V.

N1 - Funding Information: The authors gratefully acknowledge computational support from the Australian National Computing Infrastructure (NCI) and Pawsey supercomputing facility for high performance computing. Y.Y. and N.V.M. acknowledge the support from the Australian Research Council (CE170100039). S.L. acknowledges support from the Department of Science and Technology, Government of India through its SwarnaJayanti fellowship scheme (Grant No. DST/SJF/ETA‐01/2016‐17). Publisher Copyright: © 2022 The Authors. Advanced Materials Interfaces published by Wiley-VCH GmbH.

PY - 2022/5/13

Y1 - 2022/5/13

N2 - The application of ultrathin 2D perovskites in near-infrared and visible-range optoelectronics is limited owing to their inherent wide bandgaps, large excitonic binding energies, and low optical absorption at higher wavelengths. Here, it is shown that by tailoring interfacial band alignments via conjugation with low-dimensional materials like monolayer transition metal dichalcogenides (TMD), the functionalities of 2D perovskites can be extended to diverse, visible-range photophysical applications. Based on the choice of individual constituents in the 2D perovskite/TMD heterostructures, first principles calculations demonstrate widely tunable type-II bandgaps, carrier effective masses, and band offsets to enable an effective separation of photogenerated excitons for enhanced photodetection and photovoltaic applications. In addition, the possibilities of achieving a type-I band alignment for recombination-based light emitters as well as a type-III configuration for tunneling devices are shown. Further, the effect of strain on the electronic properties of the heterostructures are evaluated to show a significant strain tolerance, making them prospective candidates in flexible photosensors.

AB - The application of ultrathin 2D perovskites in near-infrared and visible-range optoelectronics is limited owing to their inherent wide bandgaps, large excitonic binding energies, and low optical absorption at higher wavelengths. Here, it is shown that by tailoring interfacial band alignments via conjugation with low-dimensional materials like monolayer transition metal dichalcogenides (TMD), the functionalities of 2D perovskites can be extended to diverse, visible-range photophysical applications. Based on the choice of individual constituents in the 2D perovskite/TMD heterostructures, first principles calculations demonstrate widely tunable type-II bandgaps, carrier effective masses, and band offsets to enable an effective separation of photogenerated excitons for enhanced photodetection and photovoltaic applications. In addition, the possibilities of achieving a type-I band alignment for recombination-based light emitters as well as a type-III configuration for tunneling devices are shown. Further, the effect of strain on the electronic properties of the heterostructures are evaluated to show a significant strain tolerance, making them prospective candidates in flexible photosensors.

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Near-infrared and visible-range optoelectronics in 2D hybrid perovskite/transition metal dichalcogenide heterostructures

Abstract

Keywords

UN SDGs

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ARC Centre of Excellence in Future Low-energy Electronics Technologies

Cite this

Near-infrared and visible-range optoelectronics in 2D hybrid perovskite/transition metal dichalcogenide heterostructures

Abstract

Keywords

UN SDGs

Access to Document

Other files and links

Projects

ARC Centre of Excellence in Future Low-energy Electronics Technologies

Cite this