AI Chat Paper
Note: Please note that the following content is generated by AMiner AI. SciOpen does not take any responsibility related to this content.
{{lang === 'zh_CN' ? '文章概述' : 'Summary'}}
{{lang === 'en_US' ? '中' : 'Eng'}}
Chat more with AI
Powered by AMiner. Clicking this button will take you away from SciOpen.
Home Nano Research Article
Article Link
Cite
EndNote(RIS) BibTeX
Collect
Submit Manuscript
Show Outline
Outline
Show full outline
Hide outline
Outline
Show full outline
Hide outline
Research Article

Niobium doping induced mirror twin boundaries in MBE grown WSe2 monolayers

Bo Wang1,2, Yipu Xia3, Junqiu Zhang3, Hannu-Pekka Komsa4( ), Maohai Xie3, Yong Peng1, Chuanhong Jin2,1,5( )
Key Laboratory for Magnetism and Magnetic Materials of Ministry of Education, School of Physical Science and Technology, Lanzhou University, Lanzhou 730000, China
State Key Laboratory of Silicon Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou 310024, China
Physics Department, The University of Hong Kong, Pokfulam Road, Hong Kong 999077, China
Department of Applied Physics, Aalto University, 00076 Aalto, Finland
Hunan Institute of Advanced Sensing and Information Technology, Xiangtan University, Xiangtan 411201, China
Show Author Information

Graphical Abstract

Abstract

Mirror twin boundary (MTB) brings unique one-dimensional (1D) physics and properties into two-dimensional (2D) transition metal dichalcogenides (TMDCs), but they were rarely observed in non-Mo-based TMDCs. Herein, by post-growth Nb doping, high density 4|4E-W and 4|4P-Se mirror twin boundaries (MTBs) were introduced into molecular beam epitaxy (MBE) grown WSe2 monolayers. Of them, 4|4E-W MTB with a novel structure was discovered experimentally for the first time, while 4|4P-Se MTBs present a random permutations of W and Nb, forming a 1D alloy system. Comparison between the doped and non-doped WSe2 confirmed that Nb dopants are essential for MTB formation. Furthermore, quantitative statistics reveal the areal density of MTBs is directly proportional to the concentration of Nb dopants. To unravel the injection pathway of Nb dopants, first-principles calculations about a set of formation energies for excess Nb atoms with different configurations were conducted, based on which a model explaining the origin of MTBs introduced by excess metal was built. We conclude that the formation of MTBs is mainly driven by the collective evolution of excess Nb atoms introduced into the lattice of host WSe2 crystal and subsequent displacement of metal atoms (W or Nb). This study provides a novel way to tailor the MTBs in 2D TMDC materials via proper metal doping and presents new opportunities for exploring the intriguing properties.

Keywords

niobiumtransition metal dichalcogenidesmolecular beam epitaxytungsten diselenidemirror twin boundariesniobium doping

Electronic Supplementary Material

Download File(s)
12274_2020_2639_MOESM1_ESM.pdf (4.1 MB)

References

[1]
Novoselov, K. S.; Neto, A. H. C. Two-dimensional crystals-based heterostructures: Materials with tailored properties. Phys. Scr. 2012, 2012, 014006.
Crossref Google Scholar
[2]
Wang, Q. H.; Kalantar-Zadeh, K.; Kis, A.; Coleman, J. N.; Strano, M. S. Electronics and optoelectronics of two-dimensional transition metal dichalcogenides. Nat. Nanotechnol. 2012, 7, 699-712.
Crossref Google Scholar
[3]
Xiao, D.; Liu, G. B.; Feng, W. X.; Xu, X. D.; Yao, W. Coupled spin and valley physics in monolayers of MoS2 and other group-VI dichalcogenides. Phys. Rev. Lett. 2012, 108, 196802.
Crossref Google Scholar
[4]
Gao, G. P.; O’Mullane, A. P.; Du, A. J. 2D MXenes: A new family of promising catalysts for the hydrogen evolution reaction. ACS Catal. 2017, 7, 494-500.
Crossref Google Scholar
[5]
Zhang, Q.; Ren, Z. M.; Wu, N.; Wang, W. J.; Gao, Y. J.; Zhang, Q. Q.; Shi, J.; Zhuang, L.; Sun, X. N.; Fu, L. Nitrogen-doping induces tunable magnetism in ReS2. npj 2D Mater. Appl. 2018, 2, 22.
Crossref Google Scholar
[6]
Andriotis, A. N.; Menon, M. Tunable magnetic properties of transition metal doped MoS2. Phys. Rev. B 2014, 90, 125304.
Crossref Google Scholar
[7]
Coelho, P. M.; Komsa, H. P.; Lasek, K.; Kalappattil, V.; Karthikeyan, J.; Phan, M. H.; Krasheninnikov, A. V.; Batzill, M. Room-temperature ferromagnetism in MoTe2 by post-growth incorporation of vanadium impurities. Adv. Electron. Mater. 2019, 5, 1900044.
Crossref Google Scholar
[8]
Yu, Y. J.; Yang, F. Y.; Lu, X. F.; Yan, Y. J.; Cho, Y. H.; Ma, L. G.; Niu, X. H.; Kim, S.; Son, Y. W.; Feng, D. L. et al. Gate-tunable phase transitions in thin flakes of 1T-TaS2. Nat. Nanotechnol. 2015, 10, 270-276.
Crossref Google Scholar
[9]
Gong, Y. J.; Liu, Z.; Lupini, A. R.; Shi, G.; Lin, J. H.; Najmaei, S.; Lin, Z.; Elías, A. L.; Berkdemir, A.; You, G. et al. Band gap engineering and layer-by-layer mapping of selenium-doped molybdenum disulfide. Nano Lett. 2014, 14, 442-449.
Crossref Google Scholar
[10]
Xia, Y. P.; Wang, B.; Zhang, J. Q.; Feng, Y.; Li, B.; Ren, X. B.; Tian, H.; Xu, J. P.; Ho, W.; Xu, H. et al. Hole doping in epitaxial MoSe2 monolayer by nitrogen plasma treatment. 2D Mater. 2018, 5, 041005.
Crossref Google Scholar
[11]
Xia, Y. P.; Zhang, J. Q.; Yu, Z. B.; Jin, Y. J.; Tian, H.; Feng, Y.; Li, B.; Ho, W.; Liu, C.; Xu, H. et al. A shallow acceptor of phosphorous doped in MoSe2 monolayer. Adv. Electron. Mater., in press, .
Crossref Google Scholar
[12]
Hong, J. H.; Wang, C.; Liu, H. J.; Ren, X. B.; Chen, J. L.; Wang, G. Y.; Jia, J. F.; Xie, M. H.; Jin, C. H.; Ji, W. et al. Inversion domain boundary induced stacking and bandstructure diversity in bilayer MoSe2. Nano Lett. 2017, 17, 6653-6660.
Crossref Google Scholar
[13]
McDonnell, S.; Addou, R.; Buie, C.; Wallace, R. M.; Hinkle, C. L. Defect-dominated doping and contact resistance in MoS2. ACS Nano 2014, 8, 2880-2888.
Crossref Google Scholar
[14]
Jolie, W.; Murray, C.; Weiß, P. S.; Hall, J.; Portner, F.; Atodiresei, N.; Krasheninnikov, A. V.; Busse, C.; Komsa, H. P.; Rosch, A. et al. Tomonaga-Luttinger liquid in a box: Electrons confined within MoS2 mirror-twin boundaries. Phys. Rev. X 2019, 9, 011055.
Crossref Google Scholar
[15]
Xia, Y. P.; Zhang, J. Q.; Jin, Y. J.; Ho, W.; Xu, H.; Xie, M. H. Quantum confined Tomonaga-Luttinger liquid in MoSe2 twin domain boundaries. arXiv:1908.09259 2019.
Google Scholar
[16]
Ma, Y. J.; Diaz, H. C.; Avila, J.; Chen, C. Y.; Kalappattil, V.; Das, R.; Phan, M. H.; Čadež, T.; Carmelo, J. M. P.; Asensio, M. C. et al. Angle resolved photoemission spectroscopy reveals spin charge separation in metallic MoSe2 grain boundary. Nat. Commun. 2017, 8, 14231.
Crossref Google Scholar
[17]
Barja, S.; Wickenburg, S.; Liu, Z. F.; Zhang, Y.; Ryu, H.; Ugeda, M. M.; Hussain, Z.; Shen, Z. X.; Mo, S. K.; Wong, E. et al. Charge density wave order in 1D mirror twin boundaries of single-layer MoSe2. Nat. Phys. 2016, 12, 751-756.
Crossref Google Scholar
[18]
Batzill, M. Mirror twin grain boundaries in molybdenum dichalcogenides. J. Phys.: Condens. Matter 2018, 30, 493001.
Crossref Google Scholar
[19]
Coelho, P. M.; Komsa, H. P.; Coy Diaz, H.; Ma, Y. J.; Krasheninnikov, A. V.; Batzill, M. Post-synthesis modifications of two-dimensional MoSe2 or MoTe2 by incorporation of excess metal atoms into the crystal structure. ACS Nano 2018, 12, 3975-3984.
Crossref Google Scholar
[20]
Jiao, L.; Liu, H. J.; Chen, J. L.; Yi, Y.; Chen, W. G.; Cai, Y.; Wang, J. N.; Dai, X. Q.; Wang, N.; Ho, W. K. et al. Molecular-beam epitaxy of monolayer MoSe2: Growth characteristics and domain boundary formation. New J. Phys. 2015, 17, 053023.
Crossref Google Scholar
[21]
Ma, Y. J.; Kolekar, S.; Coy Diaz, H.; Aprojanz, J.; Miccoli, I.; Tegenkamp, C.; Batzill, M. Metallic twin grain boundaries embedded in MoSe2 monolayers grown by molecular beam epitaxy. ACS Nano 2017, 11, 5130-5139.
Crossref Google Scholar
[22]
Diaz, H. C.; Ma, Y. J.; Chaghi, R.; Batzill, M. High density of (pseudo) periodic twin-grain boundaries in molecular beam epitaxy-grown van der Waals heterostructure: MoTe2/MoS2. Appl. Phys. Lett. 2016, 108, 191606.
Crossref Google Scholar
[23]
Liu, H. J.; Jiao, L.; Xie, L.; Yang, F.; Chen, J. L.; Ho, W. K.; Gao, C. L.; Jia, J. F.; Cui, X. D.; Xie, M. H. Molecular-beam epitaxy of monolayer and bilayer WSe2: A scanning tunneling microscopy/spectroscopy study and deduction of exciton binding energy. 2D Mater. 2015, 2, 034004.
Crossref Google Scholar
[24]
Jones, A. M.; Yu, H. Y.; Ghimire, N. J.; Wu, S. F.; Aivazian, G.; Ross, J. S.; Zhao, B.; Yan, J. Q.; Mandrus, D. G.; Xiao, D. et al. Optical generation of excitonic valley coherence in monolayer WSe2. Nat. Nanotechnol. 2013, 8, 634-638.
Crossref Google Scholar
[25]
Aivazian, G.; Gong, Z. R.; Jones, A. M.; Chu, R. L.; Yan, J.; Mandrus, D. G.; Zhang, C. W.; Cobden, D.; Yao, W.; Xu, X. Magnetic control of valley pseudospin in monolayer WSe2. Nat. Phys. 2015, 11, 148-152.
Crossref Google Scholar
[26]
Srivastava, A.; Sidler, M.; Allain, A. V.; Lembke, D. S.; Kis, A.; Imamoglu, A. Valley Zeeman effect in elementary optical excitations of monolayer WSe2. Nat. Phys. 2015, 11, 141-147.
Crossref Google Scholar
[27]
Komsa, H. P.; Krasheninnikov, A. V. Engineering the electronic properties of two-dimensional transition metal dichalcogenides by introducing mirror twin boundaries. Adv. Electron. Mater. 2017, 3, 1600468.
Crossref Google Scholar
[28]
Lin, Y. C.; Björkman, T.; Komsa, H. P.; Teng, P. Y.; Yeh, C. H.; Huang, F. S.; Lin, K. H.; Jadczak, J.; Huang, Y. S.; Chiu, P. W. et al. Three-fold rotational defects in two-dimensional transition metal dichalcogenides. Nat. Commun. 2015, 6, 6736.
Crossref Google Scholar
[29]
Pennycook, S. J.; Nellist, P. D. Scanning Transmission Electron Microscopy: Imaging and Analysis; Springer: New York, 2011.
Crossref
[30]
Komsa, H. P.; Krasheninnikov, A. V. Two-dimensional transition metal dichalcogenide alloys: Stability and electronic properties. J. Phys. Chem. Lett. 2012, 3, 3652-3656.
Crossref Google Scholar
[31]
Schneemeyer, L. F.; Sienko, M. J. Crystal data for mixed-anion molybdenum dichalcogenides. Inorg. Chem. 1980, 19, 789-791.
Crossref Google Scholar
[32]
Liu, H. J.; Jiao, L.; Yang, F.; Cai, Y.; Wu, X. X.; Ho, W.; Gao, C. L.; Jia, J. F.; Wang, N.; Fan, H. et al. Dense network of one-dimensional midgap metallic modes in monolayer MoSe2 and their spatial undulations. Phys. Rev. Lett. 2014, 113, 066105.
Crossref Google Scholar
[33]
Karthikeyan, J.; Komsa, H. P.; Batzill, M.; Krasheninnikov, A. V. Which transition metal atoms can be embedded into two-dimensional molybdenum dichalcogenides and add magnetism? Nano Lett. 2019, 19, 4581-4587.
Crossref Google Scholar
[34]
Han, D.; Ming, W. M.; Xu, H. X.; Chen, S. Y.; Sun, D. Y.; Du, M. H. Chemical trend of transition-metal doping in WSe2. Phys. Rev. Appl. 2019, 12, 034038.
Crossref Google Scholar
[35]
Lin, J. H.; Pantelides, S. T.; Zhou, W. Vacancy-induced formation and growth of inversion domains in transition-metal dichalcogenide monolayer. ACS Nano 2015, 9, 5189-5197.
Crossref Google Scholar
[36]
Gupta, S.; Yang, J. H.; Yakobson, B. I. Two-level quantum systems in two-dimensional materials for single photon emission. Nano Lett. 2019, 19, 408-414.
Crossref Google Scholar
[37]
Voiry, D.; Yang, J.; Chhowalla, M. Recent strategies for improving the catalytic activity of 2D TMD nanosheets toward the hydrogen evolution reaction. Adv. Mater. 2016, 28, 6197-6206.
Crossref Google Scholar
[38]
Kresse, G.; Furthmüller, J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput. Mater. Sci. 1996, 6, 15-50.
Crossref Google Scholar
[39]
Kresse, G.; Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 1999, 59, 1758-1775.
Crossref Google Scholar
[40]
Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 1996, 77, 3865-3868.
Crossref Google Scholar
Nano Research
Volume 13 Issue 7,
July 2020
Pages 1889-1896
DOI: 10.1007/s12274-020-2639-6
Cite this article:
Wang B, Xia Y, Zhang J, et al. Niobium doping induced mirror twin boundaries in MBE grown WSe2 monolayers. Nano Research, 2020, 13(7): 1889-1896. https://doi.org/10.1007/s12274-020-2639-6
Topics:
CalculationsMonolayersSelenium compoundsTungsten compounds
Part of a topical collection:
Sixth Nano Research Award

1010

Views

21

Crossref

N/A

Web of Science

23

Scopus

1

CSCD

Altmetrics
Received: 21 October 2019
Revised: 24 December 2019
Accepted: 02 January 2020
Published: 26 February 2020
© Tsinghua University Press and Springer-Verlag GmbH Germany, part of Springer Nature 2020
Return