Near-Direct Band Alignment of MoTe2/ReSe2 Type-II p-n Heterojunction for Efficient VNIR Photodetection

Syed Hassan Abbas Jaffery; Ghulam Dastgeer; Muhammad Hussain; Asif Ali; Sajjad Hussain; Muhammad Ali; Jongwan Jung

doi:10.1002/admt.202200026

Near-Direct Band Alignment of MoTe₂/ReSe₂ Type-II p-n Heterojunction for Efficient VNIR Photodetection

Syed Hassan Abbas Jaffery, Ghulam Dastgeer, Muhammad Hussain, Asif Ali, Sajjad Hussain, Muhammad Ali, Jongwan Jung^*

^*Corresponding author for this work

Interdisciplinary Research Center for Hydrogen and Energy Storage

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

4 Scopus citations

Abstract

Visible near infrared (VNIR) transition-metal dichalcogenides (TMDs) photodetectors have attracted attention due to their unique electronic and optoelectronic properties. Herein, the photodetection performance of a novel MoTe₂/ReSe₂ van der Waals heterojunction (vdW HJ) diode is studied in the VNIR region. Density functional theory calculations reveal the formation of type-II band alignment, which is beneficial for the design of a MoTe₂/ReSe₂ HJ diode with better optoelectronic properties. A superb rectification ratio of ≈1 × 10⁴ is obtained via gate engineering, in which the ambipolar nature of MoTe₂ enables a transition from p⁺–i to n–n⁺ state. In addition, the diode exhibits an excellent figure of merit for photodetection. The excellent diode performance is demonstrated by a high responsivity of 5.6 × 10² A W⁻¹, an excellent detectivity of 8.1 × 10¹³ jones, and an external quantum efficiency of 9.5 × 10². Moreover, fast rise and decay times of 2 and 4 ms, respectively, are observed under illumination. The significant improvement is attributed to the combination of an intra-TMD band-to-band transition and an inter-TMD charge transfer process in the MoTe₂/ReSe₂ vdW HJ. This study provides an opportunity for advancing the prospects of TMDs in next generation optoelectronics.

Original language	English
Article number	2200026
Journal	Advanced Materials Technologies
Volume	7
Issue number	10
DOIs	https://doi.org/10.1002/admt.202200026
State	Published - 10 Oct 2022

Bibliographical note

Funding Information:
This research was supported by Basic Science Research Program through theNational Research Foundation of Korea (NRF) funded by the Ministry of Education (2016R1D1A1B01015047, 2020R1A6A1A03043435). Also Muhammad Ali, one of the co‐authors, would like to grateful to the College of Petroleum Engineering & Geosciences of King Fahd University of Petroleum and Minerals for the facility of Alfahd High Performance Computing for high throughput calculations.

Funding Information:
This research was supported by Basic Science Research Program through theNational Research Foundation of Korea (NRF) funded by the Ministry of Education (2016R1D1A1B01015047, 2020R1A6A1A03043435). Also Muhammad Ali, one of the co-authors, would like to grateful to the College of Petroleum Engineering & Geosciences of King Fahd University of Petroleum and Minerals for the facility of Alfahd High Performance Computing for high throughput calculations.

Publisher Copyright:
© 2022 Wiley-VCH GmbH.

Keywords

2D heterojunctions
VNIR photodetection
density functional theory
gate-dependent rectification
p-n diode

ASJC Scopus subject areas

Materials Science (all)
Mechanics of Materials
Industrial and Manufacturing Engineering

Access to Document

10.1002/admt.202200026

Cite this

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title = "Near-Direct Band Alignment of MoTe2/ReSe2 Type-II p-n Heterojunction for Efficient VNIR Photodetection",

abstract = "Visible near infrared (VNIR) transition-metal dichalcogenides (TMDs) photodetectors have attracted attention due to their unique electronic and optoelectronic properties. Herein, the photodetection performance of a novel MoTe2/ReSe2 van der Waals heterojunction (vdW HJ) diode is studied in the VNIR region. Density functional theory calculations reveal the formation of type-II band alignment, which is beneficial for the design of a MoTe2/ReSe2 HJ diode with better optoelectronic properties. A superb rectification ratio of ≈1 × 104 is obtained via gate engineering, in which the ambipolar nature of MoTe2 enables a transition from p+–i to n–n+ state. In addition, the diode exhibits an excellent figure of merit for photodetection. The excellent diode performance is demonstrated by a high responsivity of 5.6 × 102 A W−1, an excellent detectivity of 8.1 × 1013 jones, and an external quantum efficiency of 9.5 × 102. Moreover, fast rise and decay times of 2 and 4 ms, respectively, are observed under illumination. The significant improvement is attributed to the combination of an intra-TMD band-to-band transition and an inter-TMD charge transfer process in the MoTe2/ReSe2 vdW HJ. This study provides an opportunity for advancing the prospects of TMDs in next generation optoelectronics.",

keywords = "2D heterojunctions, VNIR photodetection, density functional theory, gate-dependent rectification, p-n diode",

author = "Jaffery, {Syed Hassan Abbas} and Ghulam Dastgeer and Muhammad Hussain and Asif Ali and Sajjad Hussain and Muhammad Ali and Jongwan Jung",

note = "Funding Information: This research was supported by Basic Science Research Program through theNational Research Foundation of Korea (NRF) funded by the Ministry of Education (2016R1D1A1B01015047, 2020R1A6A1A03043435). Also Muhammad Ali, one of the co‐authors, would like to grateful to the College of Petroleum Engineering & Geosciences of King Fahd University of Petroleum and Minerals for the facility of Alfahd High Performance Computing for high throughput calculations. Funding Information: This research was supported by Basic Science Research Program through theNational Research Foundation of Korea (NRF) funded by the Ministry of Education (2016R1D1A1B01015047, 2020R1A6A1A03043435). Also Muhammad Ali, one of the co-authors, would like to grateful to the College of Petroleum Engineering & Geosciences of King Fahd University of Petroleum and Minerals for the facility of Alfahd High Performance Computing for high throughput calculations. Publisher Copyright: {\textcopyright} 2022 Wiley-VCH GmbH.",

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T1 - Near-Direct Band Alignment of MoTe2/ReSe2 Type-II p-n Heterojunction for Efficient VNIR Photodetection

AU - Jaffery, Syed Hassan Abbas

AU - Dastgeer, Ghulam

AU - Hussain, Muhammad

AU - Ali, Asif

AU - Hussain, Sajjad

AU - Ali, Muhammad

AU - Jung, Jongwan

N1 - Funding Information: This research was supported by Basic Science Research Program through theNational Research Foundation of Korea (NRF) funded by the Ministry of Education (2016R1D1A1B01015047, 2020R1A6A1A03043435). Also Muhammad Ali, one of the co‐authors, would like to grateful to the College of Petroleum Engineering & Geosciences of King Fahd University of Petroleum and Minerals for the facility of Alfahd High Performance Computing for high throughput calculations. Funding Information: This research was supported by Basic Science Research Program through theNational Research Foundation of Korea (NRF) funded by the Ministry of Education (2016R1D1A1B01015047, 2020R1A6A1A03043435). Also Muhammad Ali, one of the co-authors, would like to grateful to the College of Petroleum Engineering & Geosciences of King Fahd University of Petroleum and Minerals for the facility of Alfahd High Performance Computing for high throughput calculations. Publisher Copyright: © 2022 Wiley-VCH GmbH.

PY - 2022/10/10

Y1 - 2022/10/10

N2 - Visible near infrared (VNIR) transition-metal dichalcogenides (TMDs) photodetectors have attracted attention due to their unique electronic and optoelectronic properties. Herein, the photodetection performance of a novel MoTe2/ReSe2 van der Waals heterojunction (vdW HJ) diode is studied in the VNIR region. Density functional theory calculations reveal the formation of type-II band alignment, which is beneficial for the design of a MoTe2/ReSe2 HJ diode with better optoelectronic properties. A superb rectification ratio of ≈1 × 104 is obtained via gate engineering, in which the ambipolar nature of MoTe2 enables a transition from p+–i to n–n+ state. In addition, the diode exhibits an excellent figure of merit for photodetection. The excellent diode performance is demonstrated by a high responsivity of 5.6 × 102 A W−1, an excellent detectivity of 8.1 × 1013 jones, and an external quantum efficiency of 9.5 × 102. Moreover, fast rise and decay times of 2 and 4 ms, respectively, are observed under illumination. The significant improvement is attributed to the combination of an intra-TMD band-to-band transition and an inter-TMD charge transfer process in the MoTe2/ReSe2 vdW HJ. This study provides an opportunity for advancing the prospects of TMDs in next generation optoelectronics.

AB - Visible near infrared (VNIR) transition-metal dichalcogenides (TMDs) photodetectors have attracted attention due to their unique electronic and optoelectronic properties. Herein, the photodetection performance of a novel MoTe2/ReSe2 van der Waals heterojunction (vdW HJ) diode is studied in the VNIR region. Density functional theory calculations reveal the formation of type-II band alignment, which is beneficial for the design of a MoTe2/ReSe2 HJ diode with better optoelectronic properties. A superb rectification ratio of ≈1 × 104 is obtained via gate engineering, in which the ambipolar nature of MoTe2 enables a transition from p+–i to n–n+ state. In addition, the diode exhibits an excellent figure of merit for photodetection. The excellent diode performance is demonstrated by a high responsivity of 5.6 × 102 A W−1, an excellent detectivity of 8.1 × 1013 jones, and an external quantum efficiency of 9.5 × 102. Moreover, fast rise and decay times of 2 and 4 ms, respectively, are observed under illumination. The significant improvement is attributed to the combination of an intra-TMD band-to-band transition and an inter-TMD charge transfer process in the MoTe2/ReSe2 vdW HJ. This study provides an opportunity for advancing the prospects of TMDs in next generation optoelectronics.

KW - 2D heterojunctions

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KW - density functional theory

KW - gate-dependent rectification

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