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Title: Photoinduced charge transfer in transition metal dichalcogenide heterojunctions – towards next generation energy technologies

Abstract

Increasing interest in using two-dimensional transition metal dichalcogenides (2D TMDCs) in optical energy conversion technologies creates a demand for improving the yields and lifetimes of photogenerated charge carriers. Despite inherently fast photocarrier decay in neat 2D TMDCs, the unique photophysics in these quantum-confined systems motivates continued effort to control the evolution of photoexcited states and create functional devices. Here, an intriguing strategy to accomplish this goal is to employ TMDCs in heterojunctions with appropriate semiconductors, where energy level offsets drive photoinduced charge transfer (PCT) across material interfaces. PCT in TMDC-based systems can be optimized for many different applications, such as driving free carriers to photocatalytic sites for redox reactions like water splitting, extracting charge to perform work in photovoltaics or photodetectors, and manipulating the spin and momentum valley electronic degrees of freedom for quantum computing systems. Here, we review recent strides in optimizing PCT for such applications through greater fundamental understanding of the photophysics that occurs at TMDC/semiconductor interfaces. After giving an overview of isolated TMDC properties, synthetic methods, and the basics of PCT, we discuss TMDCs in heterojunctions with several classes of materials, including other TMDCs, small molecule semiconductors, polymers, single-walled carbon nanotubes, quantum dots, perovskites, and electrolytes. Inmore » addition to highlighting the unique benefits of each materials category, we also identify parallels across common themes, such as the roles of charge-transfer states, spin, electronic coupling, delocalization, interfacial atomic morphology, and the precise design of energy landscapes to direct charge and energy motion. We hope to capture a broad range of the valuable work in this fast-paced field to inspire new research directions for employing PCT in targeted TMDC-based systems.« less

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]
+ Show Author Affiliations
  1. National Renewable Energy Lab. (NREL), Golden, CO (United States)
Publication Date:
Research Org.:
National Renewable Energy Laboratory (NREL), Golden, CO (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division
OSTI Identifier:
1660174
Alternate Identifier(s):
OSTI ID: 1642320
Report Number(s):
NREL/JA-5K00-77066
Journal ID: ISSN 1754-5692; MainId:26012;UUID:0c0785ad-f8c7-4d1f-ad55-226740b6b2ff;MainAdminID:15239
Grant/Contract Number:  
AC36-08GO28308
Resource Type:
Accepted Manuscript
Journal Name:
Energy & Environmental Science
Additional Journal Information:
Journal Volume: 13; Journal Issue: 9; Journal ID: ISSN 1754-5692
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
30 DIRECT ENERGY CONVERSION; charge transfer; heterojunction; hydrogen evolution; photocatalysis; photoexcitation; photophysics; photovoltaics; spectroscopy; spintronics; transition metal dichalcogenide

Citation Formats

Kern, Dana, Link-Miller, Elisa, and Blackburn, Jeffrey. Photoinduced charge transfer in transition metal dichalcogenide heterojunctions – towards next generation energy technologies. United States: N. p., 2020. Web. doi:10.1039/d0ee01370f.
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Kern, Dana, Link-Miller, Elisa, & Blackburn, Jeffrey. Photoinduced charge transfer in transition metal dichalcogenide heterojunctions – towards next generation energy technologies. United States. https://doi.org/10.1039/d0ee01370f
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Kern, Dana, Link-Miller, Elisa, and Blackburn, Jeffrey. Tue . "Photoinduced charge transfer in transition metal dichalcogenide heterojunctions – towards next generation energy technologies". United States. https://doi.org/10.1039/d0ee01370f. https://www.osti.gov/servlets/purl/1660174.
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@article{osti_1660174,
title = {Photoinduced charge transfer in transition metal dichalcogenide heterojunctions – towards next generation energy technologies},
author = {Kern, Dana and Link-Miller, Elisa and Blackburn, Jeffrey},
abstractNote = {Increasing interest in using two-dimensional transition metal dichalcogenides (2D TMDCs) in optical energy conversion technologies creates a demand for improving the yields and lifetimes of photogenerated charge carriers. Despite inherently fast photocarrier decay in neat 2D TMDCs, the unique photophysics in these quantum-confined systems motivates continued effort to control the evolution of photoexcited states and create functional devices. Here, an intriguing strategy to accomplish this goal is to employ TMDCs in heterojunctions with appropriate semiconductors, where energy level offsets drive photoinduced charge transfer (PCT) across material interfaces. PCT in TMDC-based systems can be optimized for many different applications, such as driving free carriers to photocatalytic sites for redox reactions like water splitting, extracting charge to perform work in photovoltaics or photodetectors, and manipulating the spin and momentum valley electronic degrees of freedom for quantum computing systems. Here, we review recent strides in optimizing PCT for such applications through greater fundamental understanding of the photophysics that occurs at TMDC/semiconductor interfaces. After giving an overview of isolated TMDC properties, synthetic methods, and the basics of PCT, we discuss TMDCs in heterojunctions with several classes of materials, including other TMDCs, small molecule semiconductors, polymers, single-walled carbon nanotubes, quantum dots, perovskites, and electrolytes. In addition to highlighting the unique benefits of each materials category, we also identify parallels across common themes, such as the roles of charge-transfer states, spin, electronic coupling, delocalization, interfacial atomic morphology, and the precise design of energy landscapes to direct charge and energy motion. We hope to capture a broad range of the valuable work in this fast-paced field to inspire new research directions for employing PCT in targeted TMDC-based systems.},
doi = {10.1039/d0ee01370f},
journal = {Energy & Environmental Science},
number = 9,
volume = 13,
place = {United States},
year = {Tue Jul 07 00:00:00 EDT 2020},
month = {Tue Jul 07 00:00:00 EDT 2020}
}
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Strongly coupled MoS 2 nanoflake–carbon nanotube nanocomposite as an excellent electrocatalyst for hydrogen evolution reaction
journal, January 2017

  • Huang, Haoliang; Huang, Weihao; Yang, Zhuohong
  • Journal of Materials Chemistry A, Vol. 5, Issue 4
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One-dimensional van der Waals heterostructures
journal, January 2020

Strong-coupled hybrid structure of carbon nanotube and MoS 2 monolayer with ultrafast interfacial charge transfer
journal, January 2019

Interfacially Bound Exciton State in a Hybrid Structure of Monolayer WS 2 and InGaN Quantum Dots
journal, August 2018

Quantum Dot Based Solar Cells: Role of Nanoarchitectures, Perovskite Quantum Dots, and Charge‐Transporting Layers
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Ultrasensitive Hybrid MoS 2 –ZnCdSe Quantum Dot Photodetectors with High Gain
journal, May 2019

  • Zhang, Shukui; Wang, Xudong; Chen, Yan
  • ACS Applied Materials & Interfaces, Vol. 11, Issue 26
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Review—Quantum Dots and Their Application in Lighting, Displays, and Biology
journal, August 2015

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Distinct Optoelectronic Signatures for Charge Transfer and Energy Transfer in Quantum Dot-MoS 2 Hybrid Photodetectors Revealed by Photocurrent Imaging Microscopy
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Ultrafast Charge Transfer and Hybrid Exciton Formation in 2D/0D Heterostructures
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Hybrid 2D-0D MoS 2 -PbS Quantum Dot Photodetectors
journal, November 2014

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Synergistic Effect of Hybrid PbS Quantum Dots/2D-WSe 2 Toward High Performance and Broadband Phototransistors
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High Sensitivity Hybrid PbS CQD-TMDC Photodetectors up to 2 μm
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Reduced Dielectric Screening and Enhanced Energy Transfer in Single- and Few-Layer MoS 2
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Functionalized Molybdenum Disulfide Nanosheets for 0D–2D Hybrid Nanostructures: Photoinduced Charge Transfer and Enhanced Photoresponse
journal, April 2017

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Nonvolatile infrared memory in MoS 2 /PbS van der Waals heterostructures
journal, April 2018

Halide Perovskite Photovoltaics: Background, Status, and Future Prospects
journal, March 2019

Bright light-emitting diodes based on organometal halide perovskite
journal, August 2014

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The Rise of Perovskite Light-Emitting Diodes
journal, May 2019

Spin-polarized exciton quantum beating in hybrid organic–inorganic perovskites
journal, May 2017

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Giant Rashba splitting in 2D organic-inorganic halide perovskites measured by transient spectroscopies
journal, July 2017

Spin-dependent charge transport through 2D chiral hybrid lead-iodide perovskites
journal, December 2019

CH3NH3PbI3:MoS2 heterostructure for stable and efficient inverted perovskite solar cell
journal, January 2020

Perovskite solar cells with an MoS 2 electron transport layer
journal, January 2019

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Thin-film formation of 2D MoS2 and its application as a hole-transport layer in planar perovskite solar cells
journal, December 2017

Few-Layer MoS 2 Flakes as Active Buffer Layer for Stable Perovskite Solar Cells
journal, July 2016

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Solution-Processed MoS 2 /Organolead Trihalide Perovskite Photodetectors
journal, November 2016

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Boosting Two-Dimensional MoS 2 /CsPbBr 3 Photodetectors via Enhanced Light Absorbance and Interfacial Carrier Separation
journal, January 2018

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  • ACS Applied Materials & Interfaces, Vol. 10, Issue 3
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High-Performance Photodetectors Based on Lead-Free 2D Ruddlesden–Popper Perovskite/MoS 2 Heterostructures
journal, January 2019

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  • ACS Applied Materials & Interfaces, Vol. 11, Issue 8
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A High-Performance Self-Powered Photodetector Based on Monolayer MoS 2 /Perovskite Heterostructures
journal, January 2018

Efficient charge extraction and slow recombination in organic–inorganic perovskites capped with semiconducting single-walled carbon nanotubes
journal, January 2016

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  • Energy & Environmental Science, Vol. 9, Issue 4
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Charge Transfer Dynamics between Carbon Nanotubes and Hybrid Organic Metal Halide Perovskite Films
journal, January 2016

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Rapid Charge-Transfer Cascade through SWCNT Composites Enabling Low-Voltage Losses for Perovskite Solar Cells
journal, June 2019

Recent progress in electron transport layers for efficient perovskite solar cells
journal, January 2016

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  • Journal of Materials Chemistry A, Vol. 4, Issue 11
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Ultrafast Exciton Dissociation at the 2D-WS 2 Monolayer/Perovskite Interface
journal, November 2018

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Giant photoluminescence enhancement in monolayer WS_2 by energy transfer from CsPbBr_3 quantum dots
journal, January 2017

Ultrafast Charge Transfer in Perovskite Nanowire/2D Transition Metal Dichalcogenide Heterostructures
journal, March 2018

Wafer-scale synthesis of monolayer WSe2: A multi-functional photocatalyst for efficient overall pure water splitting
journal, September 2018

Two-dimensional layered nanomaterials for visible-light-driven photocatalytic water splitting
journal, December 2018

Novel synthesis of WSe2-Graphene-TiO2 ternary nanocomposite via ultrasonic technics for high photocatalytic reduction of CO2 into CH3OH
journal, April 2018

Facile synthesis of MoS2/Bi2WO6 nanocomposites for enhanced CO2 photoreduction activity under visible light irradiation
journal, May 2017

1D/2D TiO 2 /MoS 2 Hybrid Nanostructures for Enhanced Photocatalytic CO 2 Reduction
journal, October 2018

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Photocatalytic robust solar energy reduction of dinitrogen to ammonia on ultrathin MoS2
journal, January 2017

MXene: a promising photocatalyst for water splitting
journal, January 2016

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  • Journal of Materials Chemistry A, Vol. 4, Issue 29
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Two-dimensional semiconductor transition metal based chalcogenide based heterostructures for water splitting applications
journal, January 2019

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  • Dalton Transactions, Vol. 48, Issue 34
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Ultrafast Interlayer Electron Transfer in Incommensurate Transition Metal Dichalcogenide Homobilayers
journal, October 2017

Janus Monolayer Transition-Metal Dichalcogenides
journal, August 2017

Design of High-Efficiency Visible-Light Photocatalysts for Water Splitting: MoS 2 /AlN(GaN) Heterostructures
journal, July 2014

  • Liao, Jiamin; Sa, Baisheng; Zhou, Jian
  • The Journal of Physical Chemistry C, Vol. 118, Issue 31
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Investigation of atomic and electronic properties of 2D-MoS 2 /3D-GaN mixed-dimensional heterostructures
journal, July 2019

Ultrathin molybdenum disulfide/carbon nitride nanosheets with abundant active sites for enhanced hydrogen evolution
journal, January 2018

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  • Nanoscale, Vol. 10, Issue 4
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C2N/WS2 van der Waals type-II heterostructure as a promising water splitting photocatalyst
journal, March 2018

Synthesis of MoS2/g-C3N4 nanosheets as 2D heterojunction photocatalysts with enhanced visible light activity
journal, February 2016

Facile Synthesis of MoS 2 /g-C 3 N 4 /GO Ternary Heterojunction with Enhanced Photocatalytic Activity for Water Splitting
journal, August 2017

Photocatalytic hydrogen production over carbon nitride loaded with WS2 as cocatalyst under visible light
journal, September 2014

Enhanced visible light photocatalytic H2-production of g-C3N4/WS2 composite heterostructures
journal, December 2015

MoS 2 Nanosheet-Modified CuInS 2 Photocatalyst for Visible-Light-Driven Hydrogen Production from Water
journal, April 2016

Nanoscale mapping of hydrogen evolution on metallic and semiconducting MoS 2 nanosheets
journal, January 2019

  • Sun, Tong; Zhang, Hanyu; Wang, Xiang
  • Nanoscale Horizons, Vol. 4, Issue 3
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Enhanced Hydrogen Evolution Catalysis from Chemically Exfoliated Metallic MoS 2 Nanosheets
journal, May 2013

  • Lukowski, Mark A.; Daniel, Andrew S.; Meng, Fei
  • Journal of the American Chemical Society, Vol. 135, Issue 28
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Colloidal synthesis of 1T' phase dominated WS2 towards endurable electrocatalysis
journal, August 2018

Highly Effective Visible-Light-Induced H 2 Generation by Single-Layer 1T-MoS 2 and a Nanocomposite of Few-Layer 2H-MoS 2 with Heavily Nitrogenated Graphene
journal, November 2013

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  • Angewandte Chemie International Edition, Vol. 52, Issue 49
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Colloidal Synthesis of 1T-WS 2 and 2H-WS 2 Nanosheets: Applications for Photocatalytic Hydrogen Evolution
journal, August 2014

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  • Journal of the American Chemical Society, Vol. 136, Issue 40
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Photocatalytic H 2 Evolution on CdS Loaded with WS 2 as Cocatalyst under Visible Light Irradiation
journal, May 2011

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Noble metal-free near-infrared-driven photocatalyst for hydrogen production based on 2D hybrid of black Phosphorus/WS2
journal, February 2018

MoS 2 /WS 2 Heterojunction for Photoelectrochemical Water Oxidation
journal, July 2017

Large-Area CVD MoS 2 /WS 2 Heterojunctions as a Photoelectrocatalyst for Salt-Water Oxidation
journal, July 2019

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  • ACS Applied Energy Materials, Vol. 2, Issue 8
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The functionalization effect of benzoic acid and anisole on the photocatalytic activity of monolayer MoS2
journal, April 2018

Strain engineering in functional 2-dimensional materials
journal, February 2019

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Highly efficient hydrogen evolution reaction by strain and phase engineering in composites of Pt and MoS 2 nano-scrolls
journal, January 2017

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Activating and optimizing MoS2 basal planes for hydrogen evolution through the formation of strained sulphur vacancies
journal, November 2015

  • Li, Hong; Tsai, Charlie; Koh, Ai Leen
  • Nature Materials, Vol. 15, Issue 1
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A High Efficiency Si Photoanode Protected by Few-Layer MoSe 2
journal, June 2018

Highly Stable Molybdenum Disulfide Protected Silicon Photocathodes for Photoelectrochemical Water Splitting
journal, October 2017

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  • ACS Applied Materials & Interfaces, Vol. 9, Issue 42
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MoS2—an integrated protective and active layer on n+p-Si for solar H2 evolution
journal, January 2013

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Efficient Photoelectrochemical Hydrogen Generation Using Heterostructures of Si and Chemically Exfoliated Metallic MoS 2
journal, June 2014

  • Ding, Qi; Meng, Fei; English, Caroline R.
  • Journal of the American Chemical Society, Vol. 136, Issue 24
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Highly Efficient and Stable Photoelectrochemical Hydrogen Evolution with 2D-NbS 2 /Si Nanowire Heterojunction
journal, November 2019

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  • ACS Applied Materials & Interfaces, Vol. 11, Issue 47
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Phase-Modulated Band Alignment in CdS Nanorod/SnS x Nanosheet Hierarchical Heterojunctions toward Efficient Water Splitting
journal, February 2018

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  • Advanced Functional Materials, Vol. 28, Issue 16
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Plasmon-Resonant Enhancement of Photocatalysis on Monolayer WSe 2
journal, February 2019

Au Nanoparticle-Modified MoS 2 Nanosheet-Based Photoelectrochemical Cells for Water Splitting
journal, March 2014

Ultrathin Layers of PdPX (X=S, Se): Two Dimensional Semiconductors for Photocatalytic Water Splitting
journal, September 2017

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Interface Band Engineering Charge Transfer for 3D MoS 2 Photoanode to Boost Photoelectrochemical Water Splitting
journal, March 2017

Boosting Charge Separation and Transfer by Plasmon-Enhanced MoS 2 /BiVO 4 p–n Heterojunction Composite for Efficient Photoelectrochemical Water Splitting
journal, April 2018

Hot Electron of Au Nanorods Activates the Electrocatalysis of Hydrogen Evolution on MoS 2 Nanosheets
journal, June 2015

  • Shi, Yi; Wang, Jiong; Wang, Chen
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Disentangling oxygen and water vapor effects on optoelectronic properties of monolayer tungsten disulfide
journal, January 2020

  • Zhang, Hanyu; Dunklin, Jeremy R.; Reid, Obadiah G.
  • Nanoscale, Vol. 12, Issue 15
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Z -Scheme MoS 2 /g-C 3 N 4 heterojunction for efficient visible light photocatalytic CO 2 reduction
journal, January 2018

  • Qin, Hao; Guo, Rui-Tang; Liu, Xing-Yu
  • Dalton Transactions, Vol. 47, Issue 42
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Visible-Light Driven Overall Conversion of CO 2 and H 2 O to CH 4 and O 2 on 3D-SiC@2D-MoS 2 Heterostructure
journal, October 2018

  • Wang, Ying; Zhang, Zizhong; Zhang, Lina
  • Journal of the American Chemical Society, Vol. 140, Issue 44
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Efficient Photoelectrochemical Route for the Ambient Reduction of N 2 to NH 3 Based on Nanojunctions Assembled from MoS 2 Nanosheets and TiO 2
journal, July 2019

  • Ye, Wen; Arif, Muhammad; Fang, Xiaoyu
  • ACS Applied Materials & Interfaces, Vol. 11, Issue 32
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Two-dimensional (2D)/2D Interface Engineering of a MoS 2 /C 3 N 4 Heterostructure for Promoted Electrocatalytic Nitrogen Fixation
journal, January 2020

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  • ACS Applied Materials & Interfaces, Vol. 12, Issue 6
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Quantum technologies with optically interfaced solid-state spins
journal, August 2018

Magnetoelectric effects and valley-controlled spin quantum gates in transition metal dichalcogenide bilayers
journal, June 2013

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Increased Open-Circuit Voltage of Organic Solar Cells by Reduced Donor-Acceptor Interface Area
journal, March 2014

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Beyond Langevin Recombination: How Equilibrium Between Free Carriers and Charge Transfer States Determines the Open-Circuit Voltage of Organic Solar Cells
journal, April 2015

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Ballistic carbon nanotube field-effect transistors
journal, August 2003

  • Javey, Ali; Guo, Jing; Wang, Qian
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Pyromellitic dithioimides: thionation improves air-stability and electron mobility of N-type organic field-effect transistors
journal, January 2015

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Valley-polarized exciton dynamics in a 2D semiconductor heterostructure
journal, February 2016

Di‐n‐butyl phthalate induced hypospadias relates to autophagy in genital tubercle via the PI3K/Akt/mTOR pathway
journal, January 2017

  • Li, Xiang; Li, Jinhao; Zhang, Ya
  • Journal of Occupational Health, Vol. 59, Issue 1
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GMAN: A Graph Multi-Attention Network for Traffic Prediction
journal, April 2020

  • Zheng, Chuanpan; Fan, Xiaoliang; Wang, Cheng
  • Proceedings of the AAAI Conference on Artificial Intelligence, Vol. 34, Issue 01
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Mechanisms of Ultrafast Charge Separation in a PTB7/Monolayer MoS2 van der Waals Heterojunction
dataset, January 2018

  • Zhong, Chengmei; Sangwan, Vinod; Wang, Chen
  • The Journal of Physical Chemistry Letters
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