Adsorbate doping of MoS2and WSe2: the influence of Na and Co

Komesu, Takashi; Le, Duy; Tanabe, Iori; Schwier, Eike F.; Kojima, Yohei; Zheng, Mingtian; Taguchi, Kazuaki; Miyamoto, Koji; Okuda, Taichi; Iwasawa, Hideaki; Shimada, Kenya; Rahman, Talat S.; Dowben, Peter A.

doi:10.1088/1361-648x/aa7482

Adsorbate doping of MoS₂and WSe₂: the influence of Na and Co

Journal Article · Mon Jun 12 00:00:00 EDT 2017 · Journal of Physics. Condensed Matter

DOI:https://doi.org/10.1088/1361-648x/aa7482· OSTI ID:1523406

Komesu, Takashi ^[1]; Le, Duy ^[2]; Tanabe, Iori ^[1]; Schwier, Eike F. ^[3]; Kojima, Yohei ^[3]; Zheng, Mingtian ^[3]; Taguchi, Kazuaki ^[3]; Miyamoto, Koji ^[3]; Okuda, Taichi ^[3]; Iwasawa, Hideaki ^[3]; Shimada, Kenya ^[3]; Rahman, Talat S. ^[2]; Dowben, Peter A. ^[1]

Univ. of Nebraska, Lincoln, NE (United States)
Univ. of Central Florida, Orlando, FL (United States)
Hiroshima Univ. (Japan)

Here, we have investigated the influence of metal adsorbates (sodium and cobalt) on the occupied and unoccupied electronic structure of MoS₂(0 0 0 1) and WSe₂(0 0 0 1), through a combination of both photoemission and inverse photoemission. The electronic structure is rigidly shifted in both the WSe₂ and MoS₂ systems, with either Na or Co adsorption, generally as predicted by accompanying density functional theory based calculations. Na adsorption is found to behave as an electron donor (n-type) in MoS₂, while Co adsorption acts as an electron acceptor (p-type) in WSe₂. The n-type transition metal dichalcogenide (MoS₂) is easily doped more n-type with Na deposition while the p-type transition metal dichalcogenide (WSe₂) is easily doped more p-type with Co deposition. The binding energy shifts have some correlation with the work function differences between the metallic adlayer and the transition metal dichalcogenide substrate.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)

Sponsoring Organization:: Alexander von Humboldt Foundation; USDOE

Grant/Contract Number:: FG02-07ER15842

OSTI ID:: 1523406

Journal Information:: Journal of Physics. Condensed Matter, Journal Name: Journal of Physics. Condensed Matter Journal Issue: 28 Vol. 29; ISSN 0953-8984

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

References (70)

Tuning Contact Barrier Height between Metals and MoS 2 Monolayer through Interface Engineering Chai, Jian Wei; Yang, Ming; Callsen, Martin Advanced Materials Interfaces, Vol. 4, Issue 12 https://doi.org/10.1002/admi.201700035	journal	April 2017
Band structure of the MoS 2 bilayer with adsorbed and intercalated Na : Band structure of MoS Yakovkin, I. N. physica status solidi (b), Vol. 252, Issue 12 https://doi.org/10.1002/pssb.201552397	journal	July 2015
Structure and Distribution of Alkali Promoter in K/MoS2 Catalysts and Their Effects on Alcohol Synthesis from Syngas Woo, H. C.; Nam, I. S.; Lee, J. S. Journal of Catalysis, Vol. 142, Issue 2 https://doi.org/10.1006/jcat.1993.1240	journal	August 1993
Synthesis, characterization and cyclohexene hydrogenation activity of high surface area molybdenum disulfide catalysts Soto-Puente, M.; Del Valle, M.; Flores-Aquino, Eric Catalysis Letters, Vol. 113, Issue 3-4 https://doi.org/10.1007/s10562-007-9030-z	journal	February 2007
Hydrodesulfurization and hydrogenation properties of promoted MoS2 and WS2 catalysts under medium pressure conditions Debeer, V. Journal of Catalysis, Vol. 42, Issue 3 https://doi.org/10.1016/0021-9517(76)90122-6	journal	June 1976
Room-temperature oxidation of K2CO3/MoS2 catalysts and its effects on alcohol synthesis from CO and H2 Woo, H. Journal of Catalysis, Vol. 138, Issue 2 https://doi.org/10.1016/0021-9517(92)90304-Z	journal	December 1992
Role of alkali promoters in K/MoS2 catalysts for CO-H2 reactions Lee, Jae Sung; Kim, Soonho; Lee, Kyung Hee Applied Catalysis A: General, Vol. 110, Issue 1 https://doi.org/10.1016/0926-860X(94)80101-0	journal	March 1994
Band bending, surface photovoltage and tunnelling microscopy on WSe2:Rb Boehme, M.; Adelung, R.; Traving, M. Applied Surface Science, Vol. 123-124 https://doi.org/10.1016/S0169-4332(97)00474-1	journal	January 1998
Spin resolved photoemission spectroscopy on WSe2 Yu, S. -W.; Lischke, T.; David, R. Journal of Electron Spectroscopy and Related Phenomena, Vol. 101-103 https://doi.org/10.1016/S0368-2048(98)00508-8	journal	June 1999
Catalyst performance of MoS2 and WS2 for the CO2-reforming of CH4 Suppression of carbon deposition Osaki, Toshihiko; Horiuchi, Tatsuro; Suzuki, Kenzi Applied Catalysis A: General, Vol. 155, Issue 2 https://doi.org/10.1016/S0926-860X(96)00391-2	journal	July 1997
Photovoltaic properties of WSe2 single-crystals studied by photoelectron spectroscopy Klein, A.; Tomm, Y.; Schlaf, R. Solar Energy Materials and Solar Cells, Vol. 51, Issue 2 https://doi.org/10.1016/S0927-0248(97)00234-1	journal	February 1998
Economic and technical impacts of replacing Co and Ni promotion in hydrotreating catalysts Eijsbouts, S.; Anderson, G. H.; Bergwerff, J. A. Applied Catalysis A: General, Vol. 458 https://doi.org/10.1016/j.apcata.2013.03.043	journal	May 2013
Development of sulfur tolerant catalysts for the synthesis of high quality transportation fuels Koizumi, Naoto; Murai, Kazuhito; Ozaki, Toshihiko Catalysis Today, Vol. 89, Issue 4 https://doi.org/10.1016/j.cattod.2004.02.002	journal	June 2004
The morphology of MoS2, WS2, Co–Mo–S, Ni–Mo–S and Ni–W–S nanoclusters in hydrodesulfurization catalysts revealed by HAADF-STEM Brorson, M.; Carlsson, A.; Topsøe, H. Catalysis Today, Vol. 123, Issue 1-4 https://doi.org/10.1016/j.cattod.2007.01.073	journal	May 2007
Unsupported transition metal sulfide catalysts: 100 years of science and application Chianelli, Russell R.; Berhault, Gilles; Torres, Brenda Catalysis Today, Vol. 147, Issue 3-4 https://doi.org/10.1016/j.cattod.2008.09.041	journal	October 2009
Discharge mechanism of MoS2 for sodium ion battery: Electrochemical measurements and characterization Park, Jinsoo; Kim, Jong-Seon; Park, Jin-Woo Electrochimica Acta, Vol. 92 https://doi.org/10.1016/j.electacta.2013.01.057	journal	March 2013
Study of induction period over K2CO3/MoS2 catalyst for higher alcohols synthesis Xiao, Haicheng; Li, Debao; Li, Wenhuai Fuel Processing Technology, Vol. 91, Issue 4 https://doi.org/10.1016/j.fuproc.2009.07.004	journal	April 2010
Mechanistic Insight into the Synthesis of Higher Alcohols from Syngas: The Role of K Promotion on MoS ₂ Catalysts Santos, Vera P.; van der Linden, Bart; Chojecki, Adam ACS Catalysis, Vol. 3, Issue 7 https://doi.org/10.1021/cs4003518	journal	June 2013
Sonochemical Preparation of Supported Hydrodesulfurization Catalysts Dhas, N. Arul; Ekhtiarzadeh, Arash; Suslick, Kenneth S. Journal of the American Chemical Society, Vol. 123, Issue 34 https://doi.org/10.1021/ja010516y	journal	August 2001
Adsorption of Potassium on MoS ₂ (100) Surface: A First-Principles Investigation Andersen, Amity; Kathmann, Shawn M.; Lilga, Michael A. The Journal of Physical Chemistry C, Vol. 115, Issue 18 https://doi.org/10.1021/jp110069r	journal	April 2011
High-Performance Single Layered WSe₂ p-FETs with Chemically Doped Contacts Fang, Hui; Chuang, Steven; Chang, Ting Chia Nano Letters, Vol. 12, Issue 7, p. 3788-3792 https://doi.org/10.1021/nl301702r	journal	June 2012
Control of Schottky Barriers in Single Layer MoS ₂ Transistors with Ferromagnetic Contacts Chen, Jen-Ru; Odenthal, Patrick M.; Swartz, Adrian G. Nano Letters, Vol. 13, Issue 7 https://doi.org/10.1021/nl4010157	journal	June 2013
Electronic Structure of a Quasi-Freestanding MoS ₂ Monolayer Eknapakul, T.; King, P. D. C.; Asakawa, M. Nano Letters, Vol. 14, Issue 3 https://doi.org/10.1021/nl4042824	journal	February 2014
MoS ₂ P-type Transistors and Diodes Enabled by High Work Function MoO _x Contacts Chuang, Steven; Battaglia, Corsin; Azcatl, Angelica Nano Letters, Vol. 14, Issue 3 https://doi.org/10.1021/nl4043505	journal	February 2014
Doping against the Native Propensity of MoS ₂ : Degenerate Hole Doping by Cation Substitution Suh, Joonki; Park, Tae-Eon; Lin, Der-Yuh Nano Letters, Vol. 14, Issue 12 https://doi.org/10.1021/nl503251h	journal	November 2014
Magneto-transport in MoS ₂ : Phase Coherence, Spin–Orbit Scattering, and the Hall Factor Neal, Adam T.; Liu, Han; Gu, Jiangjiang ACS Nano, Vol. 7, Issue 8 https://doi.org/10.1021/nn402377g	journal	July 2013
High-Performance Molybdenum Disulfide Field-Effect Transistors with Spin Tunnel Contacts Dankert, André; Langouche, Lennart; Kamalakar, Mutta Venkata ACS Nano, Vol. 8, Issue 1 https://doi.org/10.1021/nn404961e	journal	December 2013
Switching Mechanism in Single-Layer Molybdenum Disulfide Transistors: An Insight into Current Flow across Schottky Barriers Liu, Han; Si, Mengwei; Deng, Yexin ACS Nano, Vol. 8, Issue 1 https://doi.org/10.1021/nn405916t	journal	December 2013
MoS ₂ /Graphene Composite Paper for Sodium-Ion Battery Electrodes David, Lamuel; Bhandavat, Romil; Singh, Gurpreet ACS Nano, Vol. 8, Issue 2 https://doi.org/10.1021/nn406156b	journal	January 2014
High-Gain Inverters Based on WSe ₂ Complementary Field-Effect Transistors Tosun, Mahmut; Chuang, Steven; Fang, Hui ACS Nano, Vol. 8, Issue 5 https://doi.org/10.1021/nn5009929	journal	April 2014
High-mobility and low-power thin-film transistors based on multilayer MoS2 crystals Kim, Sunkook; Konar, Aniruddha; Hwang, Wan-Sik Nature Communications, Vol. 3, Issue 1 https://doi.org/10.1038/ncomms2018	journal	January 2012
Controlled charge trapping by molybdenum disulphide and graphene in ultrathin heterostructured memory devices Sup Choi, Min; Lee, Gwan-Hyoung; Yu, Young-Jun Nature Communications, Vol. 4, Issue 1 https://doi.org/10.1038/ncomms2652	journal	March 2013
Hopping transport through defect-induced localized states in molybdenum disulphide Qiu, Hao; Xu, Tao; Wang, Zilu Nature Communications, Vol. 4, Issue 1 https://doi.org/10.1038/ncomms3642	journal	October 2013
Observation of monolayer valence band spin-orbit effect and induced quantum well states in MoX2 Alidoust, Nasser; Bian, Guang; Xu, Su-Yang Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms5673	journal	August 2014
Single-layer MoS₂ transistors Radisavljevic, B.; Radenovic, A.; Brivio, J. Nature Nanotechnology, Vol. 6, Issue 3, p. 147-150 https://doi.org/10.1038/nnano.2010.279	journal	January 2011
Valley-dependent spin polarization in bulk MoS2 with broken inversion symmetry Suzuki, R.; Sakano, M.; Zhang, Y. J. Nature Nanotechnology, Vol. 9, Issue 8 https://doi.org/10.1038/nnano.2014.148	journal	July 2014
Atomically thin p–n junctions with van der Waals heterointerfaces Lee, Chul-Ho; Lee, Gwan-Hyoung; van der Zande, Arend M. Nature Nanotechnology, Vol. 9, Issue 9 https://doi.org/10.1038/nnano.2014.150	journal	August 2014
Negative electronic compressibility and tunable spin splitting in WSe2 Riley, J. M.; Meevasana, W.; Bawden, L. Nature Nanotechnology, Vol. 10, Issue 12 https://doi.org/10.1038/nnano.2015.217	journal	September 2015
Zeeman-type spin splitting controlled by an electric field Yuan, Hongtao; Bahramy, Mohammad Saeed; Morimoto, Kazuhiro Nature Physics, Vol. 9, Issue 9 https://doi.org/10.1038/nphys2691	journal	July 2013
Defects activated photoluminescence in two-dimensional semiconductors: interplay between bound, charged and free excitons Tongay, Sefaattin; Suh, Joonki; Ataca, Can Scientific Reports, Vol. 3, Issue 1 https://doi.org/10.1038/srep02657	journal	September 2013
Does p-type ohmic contact exist in WSe ₂ –metal interfaces? Wang, Yangyang; Yang, Ruo Xi; Quhe, Ruge Nanoscale, Vol. 8, Issue 2 https://doi.org/10.1039/C5NR06204G	journal	January 2016
Efficient work-function engineering of solution-processed MoS2 thin-films for novel hole and electron transport layers leading to high-performance polymer solar cells Yun, Jin-Mun; Noh, Yong-Jin; Yeo, Jun-Seok Journal of Materials Chemistry C, Vol. 1, Issue 24 https://doi.org/10.1039/c3tc30504j	journal	January 2013
Semiconducting Properties of Single Crystals of n ‐ and p ‐Type Tungsten Diselenide (WSe ₂ ) Upadhyayula, L. C.; Loferski, J. J.; Wold, A. Journal of Applied Physics, Vol. 39, Issue 10 https://doi.org/10.1063/1.1655829	journal	September 1968
Surface States and Barrier Height of Metal‐Semiconductor Systems Cowley, A. M.; Sze, S. M. Journal of Applied Physics, Vol. 36, Issue 10 https://doi.org/10.1063/1.1702952	journal	October 1965
The work function of the elements and its periodicity Michaelson, Herbert B. Journal of Applied Physics, Vol. 48, Issue 11 https://doi.org/10.1063/1.323539	journal	November 1977
WSe₂ field effect transistors with enhanced ambipolar characteristics Das, Saptarshi; Appenzeller, Joerg Applied Physics Letters, Vol. 103, Issue 10, Article No. 103501 https://doi.org/10.1063/1.4820408	journal	September 2013
High-performance MoS 2 transistors with low-resistance molybdenum contacts Kang, Jiahao; Liu, Wei; Banerjee, Kaustav Applied Physics Letters, Vol. 104, Issue 9 https://doi.org/10.1063/1.4866340	journal	March 2014
Occupied and unoccupied electronic structure of Na doped MoS2(0001) Komesu, Takashi; Le, Duy; Zhang, Xin Applied Physics Letters, Vol. 105, Issue 24 https://doi.org/10.1063/1.4903824	journal	December 2014
Chalcogen vacancies in monolayer transition metal dichalcogenides and Fermi level pinning at contacts Guo, Y.; Liu, D.; Robertson, J. Applied Physics Letters, Vol. 106, Issue 17 https://doi.org/10.1063/1.4919524	journal	April 2015
Current fluctuation of electron and hole carriers in multilayer WSe 2 field effect transistors Ko, Seung-Pil; Shin, Jong Mok; Kim, Yong Jin Applied Physics Letters, Vol. 107, Issue 24 https://doi.org/10.1063/1.4937618	journal	December 2015
Work functions of elements expressed in terms of the Fermi energy and the density of free electrons Halas, Stanislaw; Durakiewicz, Tomasz Journal of Physics: Condensed Matter, Vol. 10, Issue 48 https://doi.org/10.1088/0953-8984/10/48/005	journal	December 1998
Symmetry-resolved surface-derived electronic structure of MoS ₂ (0 0 0 1) Komesu, Takashi; Le, Duy; Ma, Quan Journal of Physics: Condensed Matter, Vol. 26, Issue 45 https://doi.org/10.1088/0953-8984/26/45/455501	journal	October 2014
The structure characterization of MoS₂ and WS₂ catalysts by HREM Pedraza, F.; Cruz-Reyes, J.; Acosta, D. Journal of Physics: Condensed Matter, Vol. 5, Issue 33A, p. A219-A220 https://doi.org/10.1088/0953-8984/5/33A/069	journal	August 1993
Electronic structure of MoSe 2 , MoS 2 , and WSe 2 . I. Band-structure calculations and photoelectron spectroscopy Coehoorn, R.; Haas, C.; Dijkstra, J. Physical Review B, Vol. 35, Issue 12 https://doi.org/10.1103/PhysRevB.35.6195	journal	April 1987
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Occupied and unoccupied electronic band structure of WSe 2 Finteis, Th.; Hengsberger, M.; Straub, Th. Physical Review B, Vol. 55, Issue 16 https://doi.org/10.1103/PhysRevB.55.10400	journal	April 1997
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Giant spin-orbit-induced spin splitting in two-dimensional transition-metal dichalcogenide semiconductors Zhu, Z. Y.; Cheng, Y. C.; Schwingenschlögl, U. Physical Review B, Vol. 84, Issue 15 https://doi.org/10.1103/PhysRevB.84.153402	journal	October 2011
Thickness and strain effects on electronic structures of transition metal dichalcogenides: 2H- M X 2 semiconductors ( M = Mo, W; X = S, Se, Te) Yun, Won Seok; Han, S. W.; Hong, Soon Cheol Physical Review B, Vol. 85, Issue 3 https://doi.org/10.1103/PhysRevB.85.033305	journal	January 2012
Band-gap expansion in the surface-localized electronic structure of MoS 2 (0002) Han, Sang Wook; Cha, Gi-Beom; Frantzeskakis, Emmanouil Physical Review B, Vol. 86, Issue 11 https://doi.org/10.1103/PhysRevB.86.115105	journal	September 2012
Large excitonic effects in monolayers of molybdenum and tungsten dichalcogenides Ramasubramaniam, Ashwin Physical Review B, Vol. 86, Issue 11 https://doi.org/10.1103/PhysRevB.86.115409	journal	September 2012
First-principles analysis of MoS 2 /Ti 2 C and MoS 2 /Ti 2 C Y 2 ( Y = F and OH) all-2D semiconductor/metal contacts Gan, Li-Yong; Zhao, Yu-Jun; Huang, Dan Physical Review B, Vol. 87, Issue 24 https://doi.org/10.1103/PhysRevB.87.245307	journal	June 2013
Layer-dependent electronic structure of an atomically heavy two-dimensional dichalcogenide Yeh, Po-Chun; Jin, Wencan; Zaki, Nader Physical Review B, Vol. 91, Issue 4 https://doi.org/10.1103/PhysRevB.91.041407	journal	January 2015
Doping Graphene with Metal Contacts Giovannetti, G.; Khomyakov, P. A.; Brocks, G. Physical Review Letters, Vol. 101, Issue 2 https://doi.org/10.1103/PhysRevLett.101.026803	journal	July 2008
Coupled Spin and Valley Physics in Monolayers of MoS 2 and Other Group-VI Dichalcogenides Xiao, Di; Liu, Gui-Bin; Feng, Wanxiang Physical Review Letters, Vol. 108, Issue 19 https://doi.org/10.1103/PhysRevLett.108.196802	journal	May 2012
Direct Measurement of the Thickness-Dependent Electronic Band Structure of MoS 2 Using Angle-Resolved Photoemission Spectroscopy Jin, Wencan; Yeh, Po-Chun; Zaki, Nader Physical Review Letters, Vol. 111, Issue 10 https://doi.org/10.1103/PhysRevLett.111.106801	journal	September 2013
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
First-principles calculations for point defects in solids Freysoldt, Christoph; Grabowski, Blazej; Hickel, Tilmann Reviews of Modern Physics, Vol. 86, Issue 1 https://doi.org/10.1103/RevModPhys.86.253	journal	March 2014
High-Resolution, Low-Temperature Photoemission Spectroscopy at the Hisor Linear Undulator Beamline Shimada, Kenya; Arita, Masashi; Takeda, Yukiharu Surface Review and Letters, Vol. 09, Issue 01 https://doi.org/10.1142/S0218625X02002592	journal	February 2002
A high-performance complementary inverter based on transition metal dichalcogenide field-effect transistors Cho, Ah-Jin; Park, Kee Chan; Kwon, Jang-Yeon Nanoscale Research Letters, Vol. 10, Issue 1 https://doi.org/10.1186/s11671-015-0827-1	journal	March 2015

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