Metallicity of 2H-MoS2 induced by Au hybridization

Blue, Brandon T.; Jernigan, Glenn G.; Le, Duy; Fonseca, Jose J.; Lough, Stephanie D.; Thompson, Jesse E.; Smalley, Darian D.; Rahman, Talat S.; Robinson, Jeremy T.; Ishigami, Masahiro

doi:10.1088/2053-1583/ab6d34

Title: Metallicity of 2H-MoS₂ induced by Au hybridization

Journal Article · Wed Feb 05 00:00:00 EST 2020 · 2D Materials

DOI:https://doi.org/10.1088/2053-1583/ab6d34· OSTI ID:1800452

^[1];

^[2];

^[1];

^[2];

^[1];

^[2]; Ishigami, Masahiro ^[1]

Univ. of Central Florida, Orlando, FL (United States)
Naval Research Lab. (NRL), Washington, DC (United States)

Recent studies have shown that MoS₂ can undergo a structural phase transition from the 2H to 1T' phase on Au substrates at moderate temperatures. In this study, we use ultraviolet and x-ray photoelectron spectroscopy, Raman and photoluminescence spectroscopy, and scanning tunneling microscopy/spectroscopy to probe the impact of annealing exfoliated, monolayer MoS₂ on Au. Our results across multiple length scales indicate that 2H-MoS₂ becomes hybridized with Au upon thermal annealing without inducing the 1T' structural phase and the bandgap can be modulated to zero width depending on the degree of hybridization. These results can be used to control the resistance of metal-MoS₂ contacts at the atomic scale without introduction of defects or structural phase transitions and are important for devices such as memristors.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Univ. of Central Florida, Orlando, FL (United States)

Sponsoring Organization:: USDOE Office of Science (SC); US Department of the Navy, Office of Naval Research (ONR)

Grant/Contract Number:: FG02-07ER46354

OSTI ID:: 1800452

Journal Information:: 2D Materials, Vol. 7, Issue 2; ISSN 2053-1583

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

References (77)

Atomic-scale structures and electronic states of defects on Ar+-ion irradiated MoS2 Inoue, Akihiro; Komori, Takahiro; Shudo, Ken-ichi Journal of Electron Spectroscopy and Related Phenomena, Vol. 189 https://doi.org/10.1016/j.elspec.2012.12.005	journal	August 2013
Phase engineering of transition metal dichalcogenides Voiry, Damien; Mohite, Aditya; Chhowalla, Manish Chemical Society Reviews, Vol. 44, Issue 9 https://doi.org/10.1039/C5CS00151J	journal	January 2015
Mechanism of Gold-Assisted Exfoliation of Centimeter-Sized Transition-Metal Dichalcogenide Monolayers Velický, Matěj; Donnelly, Gavin E.; Hendren, William R. ACS Nano, Vol. 12, Issue 10 https://doi.org/10.1021/acsnano.8b06101	journal	September 2018
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
Targeted Synthesis of 2H- and 1T-Phase MoS ₂ Monolayers for Catalytic Hydrogen Evolution Chang, Kun; Hai, Xiao; Pang, Hong Advanced Materials, Vol. 28, Issue 45 https://doi.org/10.1002/adma.201603765	journal	September 2016
Relaxation and reconstruction on (111) surfaces of Au, Pt, and Cu Crljen, Ž.; Lazić, P.; Šokčević, D. Physical Review B, Vol. 68, Issue 19 https://doi.org/10.1103/PhysRevB.68.195411	journal	November 2003
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
Large Work Function Modulation of Monolayer MoS ₂ by Ambient Gases Lee, Si Young; Kim, Un Jeong; Chung, JaeGwan ACS Nano, Vol. 10, Issue 6 https://doi.org/10.1021/acsnano.6b01742	journal	May 2016
Structure and Electronic Properties of In Situ Synthesized Single-Layer MoS ₂ on a Gold Surface Sørensen, Signe G.; Füchtbauer, Henrik G.; Tuxen, Anders K. ACS Nano, Vol. 8, Issue 7 https://doi.org/10.1021/nn502812n	journal	June 2014
Single-layer ${MoS}_{2}$ on Au(111): Band gap renormalization and substrate interaction Bruix, Albert; Miwa, Jill A.; Hauptmann, Nadine Physical Review B, Vol. 93, Issue 16 https://doi.org/10.1103/PhysRevB.93.165422	journal	April 2016
Chemical Vapor Sensing with Monolayer MoS₂ Perkins, F. K.; Friedman, A. L.; Cobas, E. Nano Letters, Vol. 13, Issue 2, p. 668-673 https://doi.org/10.1021/nl3043079	journal	January 2013
Scanning tunneling microscopy observations on the reconstructed Au(111) surface: Atomic structure, long-range superstructure, rotational domains, and surface defects Barth, J. V.; Brune, H.; Ertl, G. Physical Review B, Vol. 42, Issue 15 https://doi.org/10.1103/PhysRevB.42.9307	journal	November 1990
Phonon and Raman scattering of two-dimensional transition metal dichalcogenides from monolayer, multilayer to bulk material Zhang, Xin; Qiao, Xiao-Fen; Shi, Wei Chemical Society Reviews, Vol. 44, Issue 9 https://doi.org/10.1039/C4CS00282B	journal	January 2015
Argon Plasma Induced Phase Transition in Monolayer MoS 2 Zhu, Jianqi; Wang, Zhichang; Yu, Hua Journal of the American Chemical Society, Vol. 139, Issue 30 https://doi.org/10.1021/jacs.7b05765	journal	July 2017
Effect of contaminations and surface preparation on the work function of single layer MoS ₂ Ochedowski, Oliver; Marinov, Kolyo; Scheuschner, Nils Beilstein Journal of Nanotechnology, Vol. 5 https://doi.org/10.3762/bjnano.5.32	journal	January 2014
Emerging Photoluminescence in Monolayer MoS₂ Splendiani, Andrea; Sun, Liang; Zhang, Yuanbo Nano Letters, Vol. 10, Issue 4, p. 1271-1275 https://doi.org/10.1021/nl903868w	journal	April 2010
Engineering the Structural and Electronic Phases of MoTe ₂ through W Substitution Rhodes, D.; Chenet, D. A.; Janicek, B. E. Nano Letters, Vol. 17, Issue 3 https://doi.org/10.1021/acs.nanolett.6b04814	journal	February 2017
Single-Layer MoS ₂ Electronics Lembke, Dominik; Bertolazzi, Simone; Kis, Andras Accounts of Chemical Research, Vol. 48, Issue 1 https://doi.org/10.1021/ar500274q	journal	December 2014
Tunable inverted gap in monolayer quasi-metallic MoS2 induced by strong charge-lattice coupling Yin, Xinmao; Wang, Qixing; Cao, Liang Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/s41467-017-00640-2	journal	September 2017
Recent advances in plasma modification of 2D transition metal dichalcogenides Nan, Haiyan; Zhou, Renwu; Gu, Xiaofeng Nanoscale, Vol. 11, Issue 41 https://doi.org/10.1039/C9NR05522C	journal	January 2019
How Good Can Monolayer MoS ₂ Transistors Be? Yoon, Youngki; Ganapathi, Kartik; Salahuddin, Sayeef Nano Letters, Vol. 11, Issue 9 https://doi.org/10.1021/nl2018178	journal	September 2011
Surface Defects on Natural MoS ₂ Addou, Rafik; Colombo, Luigi; Wallace, Robert M. ACS Applied Materials & Interfaces, Vol. 7, Issue 22 https://doi.org/10.1021/acsami.5b01778	journal	May 2015
Single-layer MoS2 Joensen, Per; Frindt, R. F.; Morrison, S. Roy Materials Research Bulletin, Vol. 21, Issue 4 https://doi.org/10.1016/0025-5408(86)90011-5	journal	April 1986
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
Transition Metal Dichalcogenides and Beyond: Synthesis, Properties, and Applications of Single- and Few-Layer Nanosheets Lv, Ruitao; Robinson, Joshua A.; Schaak, Raymond E. Accounts of Chemical Research, Vol. 48, Issue 1 https://doi.org/10.1021/ar5002846	journal	December 2014
Spontaneous strains and gap in graphene on boron nitride San-Jose, Pablo; Gutiérrez-Rubio, A.; Sturla, Mauricio Physical Review B, Vol. 90, Issue 7 https://doi.org/10.1103/PhysRevB.90.075428	journal	August 2014
Observation of Gap Opening in 1T′ Phase MoS ₂ Nanocrystals Xu, Hai; Han, Dong; Bao, Yang Nano Letters, Vol. 18, Issue 8 https://doi.org/10.1021/acs.nanolett.8b01953	journal	July 2018
Bandgap Engineering of Strained Monolayer and Bilayer MoS₂ Conley, Hiram J.; Wang, Bin; Ziegler, Jed I. Nano Letters, Vol. 13, Issue 8, p. 3626-3630 https://doi.org/10.1021/nl4014748	journal	July 2013
Plasmonic Hot Electron Induced Structural Phase Transition in a MoS ₂ Monolayer Kang, Yimin; Najmaei, Sina; Liu, Zheng Advanced Materials, Vol. 26, Issue 37 https://doi.org/10.1002/adma.201401802	journal	August 2014
Symmetry-dependent phonon renormalization in monolayer MoS $_{2}$ transistor Chakraborty, Biswanath; Bera, Achintya; Muthu, D. V. S. Physical Review B, Vol. 85, Issue 16 https://doi.org/10.1103/PhysRevB.85.161403	journal	April 2012
Mechanically-induced reverse phase transformation of MoS ₂ from stable 2H to metastable 1T and its memristive behavior Cheng, Peifu; Sun, Kai; Hu, Yun Hang RSC Advances, Vol. 6, Issue 70 https://doi.org/10.1039/C6RA12735E	journal	January 2016
NIH Image to ImageJ: 25 years of image analysis Schneider, Caroline A.; Rasband, Wayne S.; Eliceiri, Kevin W. Nature Methods, Vol. 9, Issue 7 https://doi.org/10.1038/nmeth.2089	journal	June 2012
Electronic Structure and Luminescence of Quasi-Freestanding MoS ₂ Nanopatches on Au(111) Krane, Nils; Lotze, Christian; Läger, Julia M. Nano Letters, Vol. 16, Issue 8 https://doi.org/10.1021/acs.nanolett.6b02101	journal	July 2016
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu Grimme, Stefan; Antony, Jens; Ehrlich, Stephan The Journal of Chemical Physics, Vol. 132, Issue 15 https://doi.org/10.1063/1.3382344	journal	April 2010
The work function of gold Sachtler, W. M. H.; Dorgelo, G. J. H.; Holscher, A. A. Surface Science, Vol. 5, Issue 2 https://doi.org/10.1016/0039-6028(66)90083-5	journal	October 1966
Photoluminescence from Chemically Exfoliated MoS₂ Eda, Goki; Yamaguchi, Hisato; Voiry, Damien Nano Letters, Vol. 11, Issue 12, p. 5111-5116 https://doi.org/10.1021/nl201874w	journal	December 2011
From Bulk to Monolayer MoS2: Evolution of Raman Scattering Li, Hong; Zhang, Qing; Yap, Chin Chong Ray Advanced Functional Materials, Vol. 22, Issue 7 https://doi.org/10.1002/adfm.201102111	journal	January 2012
Work function of polycrystalline Ag, Au and Al Uda, M.; Nakamura, A.; Yamamoto, T. Journal of Electron Spectroscopy and Related Phenomena, Vol. 88-91 https://doi.org/10.1016/S0368-2048(97)00236-3	journal	March 1998
Grains and grain boundaries in highly crystalline monolayer molybdenum disulphide van der Zande, Arend M.; Huang, Pinshane Y.; Chenet, Daniel A. Nature Materials, Vol. 12, Issue 6, p. 554-561 https://doi.org/10.1038/nmat3633	journal	May 2013
Screening and many-body effects in two-dimensional crystals: Monolayer ${MoS}_{2}$ Qiu, Diana Y.; da Jornada, Felipe H.; Louie, Steven G. Physical Review B, Vol. 93, Issue 23 https://doi.org/10.1103/PhysRevB.93.235435	journal	June 2016
Gold-Mediated Exfoliation of Ultralarge Optoelectronically-Perfect Monolayers Desai, Sujay B.; Madhvapathy, Surabhi R.; Amani, Matin Advanced Materials, Vol. 28, Issue 21 https://doi.org/10.1002/adma.201506171	journal	March 2016
Vapour phase growth and grain boundary structure of molybdenum disulphide atomic layers Najmaei, Sina; Liu, Zheng; Zhou, Wu Nature Materials, Vol. 12, Issue 8, p. 754-759 https://doi.org/10.1038/nmat3673	journal	June 2013
Structural semiconductor-to-semimetal phase transition in two-dimensional materials induced by electrostatic gating Li, Yao; Duerloo, Karel-Alexander N.; Wauson, Kerry Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms10671	journal	February 2016
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Interlayer Breathing and Shear Modes in Few-Trilayer MoS ₂ and WSe ₂ Zhao, Yanyuan; Luo, Xin; Li, Hai Nano Letters, Vol. 13, Issue 3 https://doi.org/10.1021/nl304169w	journal	February 2013
Band Gap Engineering with Ultralarge Biaxial Strains in Suspended Monolayer MoS ₂ Lloyd, David; Liu, Xinghui; Christopher, Jason W. Nano Letters, Vol. 16, Issue 9 https://doi.org/10.1021/acs.nanolett.6b02615	journal	August 2016
Exfoliation of large-area transition metal chalcogenide single layers Magda, Gábor Zsolt; Pető, János; Dobrik, Gergely Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep14714	journal	October 2015
Raman-scattering measurements and first-principles calculations of strain-induced phonon shifts in monolayer MoS $_{2}$ Rice, C.; Young, R. J.; Zan, R. Physical Review B, Vol. 87, Issue 8 https://doi.org/10.1103/PhysRevB.87.081307	journal	February 2013
The transition metal dichalcogenides discussion and interpretation of the observed optical, electrical and structural properties Wilson, J. A.; Yoffe, A. D. Advances in Physics, Vol. 18, Issue 73 https://doi.org/10.1080/00018736900101307	journal	May 1969
Scanning Tunneling Microscopy Observation of an Electronic Superlattice at the Surface of Clean Gold Chen, W.; Madhavan, V.; Jamneala, T. Physical Review Letters, Vol. 80, Issue 7 https://doi.org/10.1103/PhysRevLett.80.1469	journal	February 1998
Raman study and lattice dynamics of single molecular layers of ${MoS}_{2}$ Jiménez Sandoval, S.; Yang, D.; Frindt, R. F. Physical Review B, Vol. 44, Issue 8 https://doi.org/10.1103/PhysRevB.44.3955	journal	August 1991
Experimental Demonstration of Continuous Electronic Structure Tuning via Strain in Atomically Thin MoS ₂ He, Keliang; Poole, Charles; Mak, Kin Fai Nano Letters, Vol. 13, Issue 6 https://doi.org/10.1021/nl4013166	journal	May 2013
An MoS _x Structure with High Affinity for Adsorbate Interaction Sun, Dezheng; Lu, Wenhao; Le, Duy Angewandte Chemie International Edition, Vol. 51, Issue 41 https://doi.org/10.1002/anie.201205258	journal	September 2012
Electrical contacts to two-dimensional semiconductors Allain, Adrien; Kang, Jiahao; Banerjee, Kaustav Nature Materials, Vol. 14, Issue 12 https://doi.org/10.1038/nmat4452	journal	November 2015
Atomic-Scale Spectroscopy of Gated Monolayer MoS ₂ Zhou, Xiaodong; Kang, Kibum; Xie, Saien Nano Letters, Vol. 16, Issue 5 https://doi.org/10.1021/acs.nanolett.6b00473	journal	April 2016
Predicting a new phase (T′′) of two-dimensional transition metal di-chalcogenides and strain-controlled topological phase transition Ma, Fengxian; Gao, Guoping; Jiao, Yalong Nanoscale, Vol. 8, Issue 9 https://doi.org/10.1039/C5NR07715J	journal	January 2016
Pressure-Dependent Optical and Vibrational Properties of Monolayer Molybdenum Disulfide Nayak, Avinash P.; Pandey, Tribhuwan; Voiry, Damien Nano Letters, Vol. 15, Issue 1, p. 346-353 https://doi.org/10.1021/nl5036397	journal	December 2014
Precisely aligned graphene grown on hexagonal boron nitride by catalyst free chemical vapor deposition Tang, Shujie; Wang, Haomin; Zhang, Yu Scientific Reports, Vol. 3, Issue 1 https://doi.org/10.1038/srep02666	journal	September 2013
In Situ Monitoring of the Thermal-Annealing Effect in a Monolayer of ${MoS}_{2}$ Su, Liqin; Yu, Yifei; Cao, Linyou Physical Review Applied, Vol. 7, Issue 3 https://doi.org/10.1103/PhysRevApplied.7.034009	journal	March 2017
Metastable MoS ₂ : Crystal Structure, Electronic Band Structure, Synthetic Approach and Intriguing Physical Properties Zhao, Wei; Pan, Jie; Fang, Yuqiang Chemistry - A European Journal, Vol. 24, Issue 60 https://doi.org/10.1002/chem.201801018	journal	August 2018
Preparation and Applications of Mechanically Exfoliated Single-Layer and Multilayer MoS₂ and WSe₂ Nanosheets Li, Hai; Wu, Jumiati; Yin, Zongyou Accounts of Chemical Research, Vol. 47, Issue 4, p. 1067-1075 https://doi.org/10.1021/ar4002312	journal	February 2014
Monolayer MoS₂ Heterojunction Solar Cells Tsai, Meng-Lin; Su, Sheng-Han; Chang, Jan-Kai ACS Nano, Vol. 8, Issue 8, p. 8317-8322 https://doi.org/10.1021/nn502776h	journal	July 2014
Absence of a Band Gap at the Interface of a Metal and Highly Doped Monolayer MoS ₂ Kerelsky, Alexander; Nipane, Ankur; Edelberg, Drew Nano Letters, Vol. 17, Issue 10 https://doi.org/10.1021/acs.nanolett.7b01986	journal	September 2017
Electronic Structure of Epitaxial Single-Layer ${MoS}_{2}$ Miwa, Jill A.; Ulstrup, Søren; Sørensen, Signe G. Physical Review Letters, Vol. 114, Issue 4 https://doi.org/10.1103/PhysRevLett.114.046802	journal	January 2015
Characterization of Epitaxial Films of Layered Materials Using Moiré Images of Scanning Tunneling Microscope Mori, Tomohiko; Abe, Hideki; Saiki, Koichiro Japanese Journal of Applied Physics, Vol. 32, Issue Part 1, No. 6B https://doi.org/10.1143/JJAP.32.2945	journal	June 1993
Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111) Neugebauer, Jörg; Scheffler, Matthias Physical Review B, Vol. 46, Issue 24 https://doi.org/10.1103/PhysRevB.46.16067	journal	December 1992
Phase-engineered low-resistance contacts for ultrathin MoS₂ transistors Kappera, Rajesh; Voiry, Damien; Yalcin, Sibel Ebru Nature Materials, Vol. 13, Issue 12, p. 1128-1134 https://doi.org/10.1038/nmat4080	journal	August 2014
Bandgap, Mid-Gap States, and Gating Effects in MoS ₂ Lu, Chih-Pin; Li, Guohong; Mao, Jinhai Nano Letters, Vol. 14, Issue 8 https://doi.org/10.1021/nl501659n	journal	July 2014
Quasiparticle band structure calculation of monolayer, bilayer, and bulk MoS $_{2}$ Cheiwchanchamnangij, Tawinan; Lambrecht, Walter R. L. Physical Review B, Vol. 85, Issue 20 https://doi.org/10.1103/PhysRevB.85.205302	journal	May 2012
Low-frequency Raman modes and electronic excitations in atomically thin MoS $_{2}$ films Zeng, Hualing; Zhu, Bairen; Liu, Kai Physical Review B, Vol. 86, Issue 24 https://doi.org/10.1103/PhysRevB.86.241301	journal	December 2012
Nature of Electronic States in Atomically Thin MoS₂ Field-Effect Transistors Ghatak, Subhamoy; Pal, Atindra Nath; Ghosh, Arindam ACS Nano, Vol. 5, Issue 10, p. 7707-7712 https://doi.org/10.1021/nn202852j	journal	October 2011
WSXM : A software for scanning probe microscopy and a tool for nanotechnology Horcas, I.; Fernández, R.; Gómez-Rodríguez, J. M. Review of Scientific Instruments, Vol. 78, Issue 1 https://doi.org/10.1063/1.2432410	journal	January 2007
Piezoresistivity and Strain-induced Band Gap Tuning in Atomically Thin MoS ₂ Manzeli, Sajedeh; Allain, Adrien; Ghadimi, Amirhossein Nano Letters, Vol. 15, Issue 8 https://doi.org/10.1021/acs.nanolett.5b01689	journal	July 2015
The Nature of Electronic States in Atomically Thin MoS2 Field-Effect Transistors Ghatak, Subhamoy; Pal, Atindra Nath; Ghosh, Arindam arXiv https://doi.org/10.48550/arxiv.1203.5656	text	January 2012
Vapor Phase Growth and Grain Boundary Structure of Molybdenum Disulfide Atomic Layers Najmaei, Sina; Liu, Zheng; Zhou, Wu arXiv https://doi.org/10.48550/arxiv.1301.2812	text	January 2013
Spontaneous Strains and Gap in Graphene on Boron Nitride San-Jose, Pablo; Gutiérrez, Ángel; Sturla, Mauricio arXiv https://doi.org/10.48550/arxiv.1404.7777	text	January 2014
Absence of a Band Gap at Interface of a Metal and Highly Doped Monolayer $MoS_2$ Kerelsky, Alexander; Nipane, Ankur; Edelberg, Drew arXiv https://doi.org/10.48550/arxiv.1705.08478	text	January 2017

Similar Records

Formation of Coherent 1H–1T Heterostructures in Single-Layer MoS₂ on Au(111)

Journal Article · Mon Nov 30 00:00:00 EST 2020 · ACS Nano · OSTI ID:1800452

Wu, Fanglue; Liu, Zhuotong; Hawthorne, Nathaniel; +5 more

Monolayer-enriched production of Au-decorated WS₂ Nanosheets via Defect Engineering

Journal Article · Fri Apr 06 00:00:00 EDT 2018 · MRS Advances · OSTI ID:1800452

Dunklin, Jeremy R.; Lafargue, Paul; Higgins, Thomas M.; +7 more

Stabilizing the heavily-doped and metallic phase of MoS₂ monolayers with surface functionalization

Journal Article · Fri Dec 24 00:00:00 EST 2021 · 2D Materials · OSTI ID:1800452

Zhang, Hanyu; Koledin, Tamara D.; Xiang, Wang; +6 more

Related Subjects

36 MATERIALS SCIENCE
transition metal dichalcogenide (TMD)
scanning tunneling microscopy/spectroscopy (STM/STS)
photoemission spectroscopy
density functional theory (DFT)
Au-assisted exfoliation
metal-TMD heterostructures

Title: Metallicity of 2H-MoS2 induced by Au hybridization

Citation Formats

References (77)

Similar Records

Related Subjects

Title: Metallicity of 2H-MoS₂ induced by Au hybridization