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

Kern, Dana; Link-Miller, Elisa; Blackburn, Jeffrey

doi:10.1039/d0ee01370f

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

Journal Article · Tue Jul 07 00:00:00 EDT 2020 · Energy & Environmental Science

DOI:https://doi.org/10.1039/d0ee01370f· OSTI ID:1660174

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National Renewable Energy Lab. (NREL), Golden, CO (United States)

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.

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Research Organization:: National Renewable Energy Laboratory (NREL), Golden, CO (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division

Grant/Contract Number:: AC36-08GO28308

OSTI ID:: 1660174

Alternate ID(s):: OSTI ID: 1642320

Report Number(s):: NREL/JA-5K00-77066; MainId:26012; UUID:0c0785ad-f8c7-4d1f-ad55-226740b6b2ff; MainAdminID:15239

Journal Information:: Energy & Environmental Science, Vol. 13, Issue 9; ISSN 1754-5692

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Boosting Two-Dimensional MoS ₂ /CsPbBr ₃ Photodetectors via Enhanced Light Absorbance and Interfacial Carrier Separation Song, Xiufeng; Liu, Xuhai; Yu, Dejian ACS Applied Materials & Interfaces, Vol. 10, Issue 3 https://doi.org/10.1021/acsami.7b14745	journal	January 2018
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Ultrafast Charge Transfer in Perovskite Nanowire/2D Transition Metal Dichalcogenide Heterostructures Fang, Qiyi; Shang, Qiuyu; Zhao, Liyun The Journal of Physical Chemistry Letters, Vol. 9, Issue 7 https://doi.org/10.1021/acs.jpclett.8b00260	journal	March 2018
Wafer-scale synthesis of monolayer WSe2: A multi-functional photocatalyst for efficient overall pure water splitting Wang, Yongjie; Zhao, Songrui; Wang, Yichen Nano Energy, Vol. 51 https://doi.org/10.1016/j.nanoen.2018.06.047	journal	September 2018
Efficient Electrocatalytic and Photoelectrochemical Hydrogen Generation Using MoS 2 and Related Compounds Ding, Qi; Song, Bo; Xu, Ping Chem, Vol. 1, Issue 5 https://doi.org/10.1016/j.chempr.2016.10.007	journal	November 2016
Two-dimensional layered nanomaterials for visible-light-driven photocatalytic water splitting Gan, Xiaorong; Lei, Dangyuan; Wong, Kwok-Yin Materials Today Energy, Vol. 10 https://doi.org/10.1016/j.mtener.2018.10.015	journal	December 2018
Novel synthesis of WSe2-Graphene-TiO2 ternary nanocomposite via ultrasonic technics for high photocatalytic reduction of CO2 into CH3OH Biswas, Md Rokon Ud Dowla; Ali, Asghar; Cho, Kwang Youn Ultrasonics Sonochemistry, Vol. 42 https://doi.org/10.1016/j.ultsonch.2017.12.030	journal	April 2018
Preparation of Nanowire like WSe2-Graphene Nanocomposite for Photocatalytic Reduction of CO2 into CH3OH with the Presence of Sacrificial Agents Ali, Asghar; Oh, Won-Chun Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/s41598-017-02075-7	journal	May 2017
Facile synthesis of MoS2/Bi2WO6 nanocomposites for enhanced CO2 photoreduction activity under visible light irradiation Dai, Weili; Yu, Juanjuan; Deng, Yiqiang Applied Surface Science, Vol. 403 https://doi.org/10.1016/j.apsusc.2017.01.171	journal	May 2017
1D/2D TiO ₂ /MoS ₂ Hybrid Nanostructures for Enhanced Photocatalytic CO ₂ Reduction Xu, Feiyan; Zhu, Bicheng; Cheng, Bei Advanced Optical Materials, Vol. 6, Issue 23 https://doi.org/10.1002/adom.201800911	journal	October 2018
Photocatalytic robust solar energy reduction of dinitrogen to ammonia on ultrathin MoS2 Sun, Songmei; Li, Xiaoman; Wang, Wenzhong Applied Catalysis B: Environmental, Vol. 200 https://doi.org/10.1016/j.apcatb.2016.07.025	journal	January 2017
MXene: a promising photocatalyst for water splitting Guo, Zhonglu; Zhou, Jian; Zhu, Linggang Journal of Materials Chemistry A, Vol. 4, Issue 29 https://doi.org/10.1039/C6TA04414J	journal	January 2016
Two-dimensional semiconductor transition metal based chalcogenide based heterostructures for water splitting applications Sumesh, C. K.; Peter, Sebastian C. Dalton Transactions, Vol. 48, Issue 34 https://doi.org/10.1039/C9DT01581G	journal	January 2019
Ultrafast Interlayer Electron Transfer in Incommensurate Transition Metal Dichalcogenide Homobilayers Li, Yuanyuan; Cui, Qiannan; Ceballos, Frank Nano Letters, Vol. 17, Issue 11 https://doi.org/10.1021/acs.nanolett.7b02608	journal	October 2017
Universality of electronic characteristics and photocatalyst applications in the two-dimensional Janus transition metal dichalcogenides Xia, Congxin; Xiong, Wenqi; Du, Juan Physical Review B, Vol. 98, Issue 16 https://doi.org/10.1103/PhysRevB.98.165424	journal	October 2018
Janus Monolayer Transition-Metal Dichalcogenides Zhang, Jing; Jia, Shuai; Kholmanov, Iskandar ACS Nano, Vol. 11, Issue 8 https://doi.org/10.1021/acsnano.7b03186	journal	August 2017
Constructing noble-metal-free Z-scheme photocatalytic overall water splitting systems using MoS ₂ nanosheet modified CdS as a H ₂ evolution photocatalyst Yuan, Yong-Jun; Chen, Daqin; Yang, Shuhui J. Mater. Chem. A, Vol. 5, Issue 40 https://doi.org/10.1039/C7TA06644A	journal	January 2017
DFT investigation on two-dimensional GeS/WS2 van der Waals heterostructure for direct Z-scheme photocatalytic overall water splitting Ju, Lin; Dai, Ying; Wei, Wei Applied Surface Science, Vol. 434 https://doi.org/10.1016/j.apsusc.2017.10.172	journal	March 2018
Design of High-Efficiency Visible-Light Photocatalysts for Water Splitting: MoS ₂ /AlN(GaN) Heterostructures Liao, Jiamin; Sa, Baisheng; Zhou, Jian The Journal of Physical Chemistry C, Vol. 118, Issue 31 https://doi.org/10.1021/jp5038014	journal	July 2014
Interface Engineering of Monolayer MoS ₂ /GaN Hybrid Heterostructure: Modified Band Alignment for Photocatalytic Water Splitting Application by Nitridation Treatment Zhang, Zhaofu; Qian, Qingkai; Li, Baikui ACS Applied Materials & Interfaces, Vol. 10, Issue 20 https://doi.org/10.1021/acsami.8b01286	journal	April 2018
Investigation of atomic and electronic properties of 2D-MoS ₂ /3D-GaN mixed-dimensional heterostructures Sung, Dongchul; Min, Kyung-Ah; Hong, Suklyun Nanotechnology, Vol. 30, Issue 40 https://doi.org/10.1088/1361-6528/ab2c16	journal	July 2019
Ultrathin molybdenum disulfide/carbon nitride nanosheets with abundant active sites for enhanced hydrogen evolution Qian, Xingyue; Ding, Junfei; Zhang, Jianli Nanoscale, Vol. 10, Issue 4 https://doi.org/10.1039/C7NR07213A	journal	January 2018
C2N/WS2 van der Waals type-II heterostructure as a promising water splitting photocatalyst Kumar, Ritesh; Das, Deya; Singh, Abhishek Kumar Journal of Catalysis, Vol. 359 https://doi.org/10.1016/j.jcat.2018.01.005	journal	March 2018
Synthesis of MoS2/g-C3N4 nanosheets as 2D heterojunction photocatalysts with enhanced visible light activity Li, Juan; Liu, Enzhou; Ma, Yongning Applied Surface Science, Vol. 364 https://doi.org/10.1016/j.apsusc.2015.12.236	journal	February 2016
Facile Synthesis of MoS ₂ /g-C ₃ N ₄ /GO Ternary Heterojunction with Enhanced Photocatalytic Activity for Water Splitting Wang, Min; Ju, Peng; Li, Jiajia ACS Sustainable Chemistry & Engineering, Vol. 5, Issue 9 https://doi.org/10.1021/acssuschemeng.7b01386	journal	August 2017
Photocatalytic hydrogen production over carbon nitride loaded with WS2 as cocatalyst under visible light Hou, Yidong; Zhu, Yongsheng; Xu, Yan Applied Catalysis B: Environmental, Vol. 156-157 https://doi.org/10.1016/j.apcatb.2014.03.002	journal	September 2014
Enhanced visible light photocatalytic H2-production of g-C3N4/WS2 composite heterostructures Akple, Maxwell Selase; Low, Jingxiang; Wageh, S. Applied Surface Science, Vol. 358 https://doi.org/10.1016/j.apsusc.2015.08.250	journal	December 2015
MoS ₂ Nanosheet-Modified CuInS ₂ Photocatalyst for Visible-Light-Driven Hydrogen Production from Water Yuan, Yong-Jun; Chen, Da-Qin; Huang, Yan-Wei ChemSusChem, Vol. 9, Issue 9 https://doi.org/10.1002/cssc.201600006	journal	April 2016
Nanoscale mapping of hydrogen evolution on metallic and semiconducting MoS ₂ nanosheets Sun, Tong; Zhang, Hanyu; Wang, Xiang Nanoscale Horizons, Vol. 4, Issue 3 https://doi.org/10.1039/C8NH00346G	journal	January 2019
Enhanced Hydrogen Evolution Catalysis from Chemically Exfoliated Metallic MoS ₂ Nanosheets Lukowski, Mark A.; Daniel, Andrew S.; Meng, Fei Journal of the American Chemical Society, Vol. 135, Issue 28 https://doi.org/10.1021/ja404523s	journal	May 2013
Colloidal synthesis of 1T' phase dominated WS2 towards endurable electrocatalysis Liu, Zhengqing; Li, Na; Su, Cong Nano Energy, Vol. 50 https://doi.org/10.1016/j.nanoen.2018.05.019	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 Maitra, Urmimala; Gupta, Uttam; De, Mrinmoy Angewandte Chemie International Edition, Vol. 52, Issue 49 https://doi.org/10.1002/anie.201306918	journal	November 2013
Colloidal Synthesis of 1T-WS ₂ and 2H-WS ₂ Nanosheets: Applications for Photocatalytic Hydrogen Evolution Mahler, Benoit; Hoepfner, Veronika; Liao, Kristine Journal of the American Chemical Society, Vol. 136, Issue 40 https://doi.org/10.1021/ja506261t	journal	August 2014
Photocatalytic H ₂ Evolution on CdS Loaded with WS ₂ as Cocatalyst under Visible Light Irradiation Zong, Xu; Han, Jingfeng; Ma, Guijun The Journal of Physical Chemistry C, Vol. 115, Issue 24 https://doi.org/10.1021/jp2006777	journal	May 2011
Heterostructured WS ₂ -MoS ₂ Ultrathin Nanosheets Integrated on CdS Nanorods to Promote Charge Separation and Migration and Improve Solar-Driven Photocatalytic Hydrogen Evolution Reddy, D. Amaranatha; Park, Hanbit; Ma, Rory ChemSusChem, Vol. 10, Issue 7 https://doi.org/10.1002/cssc.201601799	journal	March 2017
Noble metal-free near-infrared-driven photocatalyst for hydrogen production based on 2D hybrid of black Phosphorus/WS2 Zhu, Mingshan; Zhai, Chunyang; Fujitsuka, Mamoru Applied Catalysis B: Environmental, Vol. 221 https://doi.org/10.1016/j.apcatb.2017.09.063	journal	February 2018
MoS ₂ /WS ₂ Heterojunction for Photoelectrochemical Water Oxidation Pesci, Federico M.; Sokolikova, Maria S.; Grotta, Chiara ACS Catalysis, Vol. 7, Issue 8 https://doi.org/10.1021/acscatal.7b01517	journal	July 2017
Large-Area CVD MoS ₂ /WS ₂ Heterojunctions as a Photoelectrocatalyst for Salt-Water Oxidation Sherrell, Peter C.; Palczynski, Pawel; Sokolikova, Maria S. ACS Applied Energy Materials, Vol. 2, Issue 8 https://doi.org/10.1021/acsaem.9b01008	journal	July 2019
Band structure engineering of monolayer MoS ₂ by surface ligand functionalization for enhanced photoelectrochemical hydrogen production activity Pan, Jing; Wang, Zilu; Chen, Qian Nanoscale, Vol. 6, Issue 22 https://doi.org/10.1039/C4NR02829E	journal	January 2014
The functionalization effect of benzoic acid and anisole on the photocatalytic activity of monolayer MoS2 Suo, Yuanli; Liu, Hongxian; Huang, Shuping Applied Surface Science, Vol. 437 https://doi.org/10.1016/j.apsusc.2017.12.076	journal	April 2018
Strain engineering in functional 2-dimensional materials Sun, Yufei; Liu, Kai Journal of Applied Physics, Vol. 125, Issue 8 https://doi.org/10.1063/1.5053795	journal	February 2019
Highly efficient hydrogen evolution reaction by strain and phase engineering in composites of Pt and MoS ₂ nano-scrolls Hwang, Da Young; Choi, Kyoung Hwan; Park, Jeong Eon Physical Chemistry Chemical Physics, Vol. 19, Issue 28 https://doi.org/10.1039/C7CP03495D	journal	January 2017
Activating and optimizing MoS2 basal planes for hydrogen evolution through the formation of strained sulphur vacancies Li, Hong; Tsai, Charlie; Koh, Ai Leen Nature Materials, Vol. 15, Issue 1 https://doi.org/10.1038/nmat4465	journal	November 2015
Strain-Mediated Interlayer Coupling Effects on the Excitonic Behaviors in an Epitaxially Grown MoS ₂ /WS ₂ van der Waals Heterobilayer Pak, Sangyeon; Lee, Juwon; Lee, Young-Woo Nano Letters, Vol. 17, Issue 9 https://doi.org/10.1021/acs.nanolett.7b02513	journal	August 2017
A High Efficiency Si Photoanode Protected by Few-Layer MoSe ₂ Vanka, Srinivas; Wang, Yongjie; Ghamari, Pegah Solar RRL, Vol. 2, Issue 8 https://doi.org/10.1002/solr.201800113	journal	June 2018
Highly Stable Molybdenum Disulfide Protected Silicon Photocathodes for Photoelectrochemical Water Splitting King, Laurie A.; Hellstern, Thomas R.; Park, Joonsuk ACS Applied Materials & Interfaces, Vol. 9, Issue 42 https://doi.org/10.1021/acsami.7b10749	journal	October 2017
MoS2—an integrated protective and active layer on n+p-Si for solar H2 evolution Laursen, Anders B.; Pedersen, Thomas; Malacrida, Paolo Physical Chemistry Chemical Physics, Vol. 15, Issue 46 https://doi.org/10.1039/c3cp52890a	journal	January 2013
Efficient Photoelectrochemical Hydrogen Generation Using Heterostructures of Si and Chemically Exfoliated Metallic MoS ₂ Ding, Qi; Meng, Fei; English, Caroline R. Journal of the American Chemical Society, Vol. 136, Issue 24 https://doi.org/10.1021/ja5025673	journal	June 2014
Highly Efficient and Stable Photoelectrochemical Hydrogen Evolution with 2D-NbS ₂ /Si Nanowire Heterojunction Gnanasekar, Paulraj; Periyanagounder, Dharmaraj; Varadhan, Purushothaman ACS Applied Materials & Interfaces, Vol. 11, Issue 47 https://doi.org/10.1021/acsami.9b14713	journal	November 2019
Phase-Modulated Band Alignment in CdS Nanorod/SnS _x Nanosheet Hierarchical Heterojunctions toward Efficient Water Splitting Fu, Yanming; Cao, Fengren; Wu, Fangli Advanced Functional Materials, Vol. 28, Issue 16 https://doi.org/10.1002/adfm.201706785	journal	February 2018
Plasmon-Resonant Enhancement of Photocatalysis on Monolayer WSe ₂ Chen, Jihan; Bailey, Connor S.; Hong, Yilun ACS Photonics, Vol. 6, Issue 3 https://doi.org/10.1021/acsphotonics.9b00089	journal	February 2019
Au Nanoparticle-Modified MoS ₂ Nanosheet-Based Photoelectrochemical Cells for Water Splitting Yin, Zongyou; Chen, Bo; Bosman, Michel Small, Vol. 10, Issue 17 https://doi.org/10.1002/smll.201400124	journal	March 2014
Ultrathin Layers of PdPX (X=S, Se): Two Dimensional Semiconductors for Photocatalytic Water Splitting Jing, Yu; Ma, Yandong; Wang, Yu Chemistry - A European Journal, Vol. 23, Issue 55 https://doi.org/10.1002/chem.201703683	journal	September 2017
Interface Band Engineering Charge Transfer for 3D MoS ₂ Photoanode to Boost Photoelectrochemical Water Splitting Xu, Xiaoyong; Zhou, Gang; Dong, Xuefeng ACS Sustainable Chemistry & Engineering, Vol. 5, Issue 5 https://doi.org/10.1021/acssuschemeng.6b02883	journal	March 2017
Boosting Charge Separation and Transfer by Plasmon-Enhanced MoS ₂ /BiVO ₄ p–n Heterojunction Composite for Efficient Photoelectrochemical Water Splitting Pan, Qingguang; Zhang, Chi; Xiong, Yunjie ACS Sustainable Chemistry & Engineering, Vol. 6, Issue 5 https://doi.org/10.1021/acssuschemeng.8b00170	journal	April 2018
Hot Electron of Au Nanorods Activates the Electrocatalysis of Hydrogen Evolution on MoS ₂ Nanosheets Shi, Yi; Wang, Jiong; Wang, Chen Journal of the American Chemical Society, Vol. 137, Issue 23 https://doi.org/10.1021/jacs.5b01732	journal	June 2015
Disentangling oxygen and water vapor effects on optoelectronic properties of monolayer tungsten disulfide Zhang, Hanyu; Dunklin, Jeremy R.; Reid, Obadiah G. Nanoscale, Vol. 12, Issue 15 https://doi.org/10.1039/C9NR09326E	journal	January 2020
Z -Scheme MoS ₂ /g-C ₃ N ₄ heterojunction for efficient visible light photocatalytic CO ₂ reduction Qin, Hao; Guo, Rui-Tang; Liu, Xing-Yu Dalton Transactions, Vol. 47, Issue 42 https://doi.org/10.1039/C8DT02901F	journal	January 2018
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 Wang, Ying; Zhang, Zizhong; Zhang, Lina Journal of the American Chemical Society, Vol. 140, Issue 44 https://doi.org/10.1021/jacs.8b09344	journal	October 2018
Efficient Photoelectrochemical Route for the Ambient Reduction of N ₂ to NH ₃ Based on Nanojunctions Assembled from MoS ₂ Nanosheets and TiO ₂ Ye, Wen; Arif, Muhammad; Fang, Xiaoyu ACS Applied Materials & Interfaces, Vol. 11, Issue 32 https://doi.org/10.1021/acsami.9b06596	journal	July 2019
Two-dimensional (2D)/2D Interface Engineering of a MoS ₂ /C ₃ N ₄ Heterostructure for Promoted Electrocatalytic Nitrogen Fixation Chu, Ke; Liu, Ya-ping; Li, Yu-biao ACS Applied Materials & Interfaces, Vol. 12, Issue 6 https://doi.org/10.1021/acsami.9b18263	journal	January 2020
Artificial Optoelectronic Synapses Based on Ferroelectric Field-Effect Enabled 2D Transition Metal Dichalcogenide Memristive Transistors Luo, Zheng-Dong; Xia, Xue; Yang, Ming-Min ACS Nano, Vol. 14, Issue 1 https://doi.org/10.1021/acsnano.9b07687	journal	December 2019
Quantum technologies with optically interfaced solid-state spins Awschalom, David D.; Hanson, Ronald; Wrachtrup, Jörg Nature Photonics, Vol. 12, Issue 9 https://doi.org/10.1038/s41566-018-0232-2	journal	August 2018
Magnetoelectric effects and valley-controlled spin quantum gates in transition metal dichalcogenide bilayers Gong, Zhirui; Liu, Gui-Bin; Yu, Hongyi Nature Communications, Vol. 4, Issue 1 https://doi.org/10.1038/ncomms3053	journal	June 2013
Pyromellitic dithioimides: thionation improves air-stability and electron mobility of N-type organic field-effect transistors Yang, Te-Fang; Huang, Sheng-Han; Chiu, Yi-Pang Chemical Communications, Vol. 51, Issue 72 https://doi.org/10.1039/c5cc04674b	journal	January 2015
Di‐n‐butyl phthalate induced hypospadias relates to autophagy in genital tubercle via the PI3K/Akt/mTOR pathway Li, Xiang; Li, Jinhao; Zhang, Ya Journal of Occupational Health, Vol. 59, Issue 1 https://doi.org/10.1539/joh.16-0089-oa	journal	January 2017
GMAN: A Graph Multi-Attention Network for Traffic Prediction Zheng, Chuanpan; Fan, Xiaoliang; Wang, Cheng Proceedings of the AAAI Conference on Artificial Intelligence, Vol. 34, Issue 01 https://doi.org/10.1609/aaai.v34i01.5477	journal	April 2020
Optical properties of atomically thin transition metal dichalcogenides: Observations and puzzles Koperski, M.; Molas, M. R.; Arora, A. arXiv https://doi.org/10.48550/arxiv.1612.05879	text	January 2016
Mechanisms of Ultrafast Charge Separation in a PTB7/Monolayer MoS2 van der Waals Heterojunction Zhong, Chengmei; Sangwan, Vinod; Wang, Chen The Journal of Physical Chemistry Letters https://doi.org/10.18126/m21d12	dataset	January 2018

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