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Research Article

Line defects in monolayer TiSe2 with adsorption of Pt atoms potentially enable excellent catalytic activity

Zhipeng Song1,§, Juxia Yi1,§, Jing Qi1, Qi Zheng1, Zhili Zhu1, Lei Tao1, Yun Cao1, Yan Li1, Zhaoyan Gao1, Ruizi Zhang1( ), Li Huang1, Geng Li1,2,3, Ziqiang Xu4, Xu Wu4, Yeliang Wang4, Chengmin Shen1,2, Yu-Yang Zhang1,2, Hongliang Lu1,2( ), Xiao Lin1,2( ), Shixuan Du1,2,3, Hong-Jun Gao1,2,3
Institute of Physics and University of Chinese Academy of Sciences, Chinese Academy of Sciences, Beijing 100190, China
CAS Center for Excellence in Topological Quantum Computation, Chinese Academy of Sciences, Beijing 100190, China
Songshan Lake Materials Laboratory, Dongguan 523808, China
School of Information and Electronics, Beijing Institute of Technology, Beijing 100081, China

§ Zhipeng Song and Juxia Yi contributed equally to this work.

Show Author Information

Graphical Abstract

Monolayer TiSe2 with Pt adatoms adsorption on the line defects were successfully fabricated on the Au(111) substrate. The density functional theory calculations shows that the line defect itself has catalytic activity for hydrogen evlution reaction, and it will have better catalytic activity if it adsorbs Pt atoms.

Abstract

Two-dimensional (2D) materials with defects are desired for catalysis after the adsorption of monodispersed noble metal atoms. High-performance catalysts with the absolute value of Gibbs free energy (|ΔGH|) close to zero, is one of the ultimate goals in the catalytic field. Here, we report the formation of monolayer titanium selenide (TiSe2) with line defects. The low-temperature scanning tunneling microscopy/spectroscopy (STM/S) measurements revealed the structure and electronic states of the line defect. Density functional theory (DFT) calculation results confirmed that the line defects were induced by selenium vacancies and the STM simulation was in good agreement with the experimental results. Further, DFT calculations show that monolayer TiSe2 with line defects have good catalytic activity for hydrogen evolution reaction (HER). If the defects are decorated with single Pt atom, the HER catalytic activity will be enhanced dramatically (|ΔGH| = 0.006 eV), which is much better than Pt metal (|ΔGH| = 0.09 eV). Line defects in monolayer TiSe2/Au(111) provide a wonderful platform for the design of high-performance catalysts.

Keywords

line defectshydrogen evolution reactionmonolayer titanium selenide (TiSe2) scanning tunneling microscopedensity functional theory calculation

References

1

Zhang, Y.; Chang, T. R.; Zhou, B.; Cui, Y. T.; Yan, H.; Liu, Z. K.; Schmitt, F.; Lee, J.; Moore, R.; Chen, Y. L. et al. Direct observation of the transition from indirect to direct bandgap in atomically thin epitaxial MoSe2. Nat. Nanotechnol. 2014, 9, 111–115.
Crossref Google Scholar
2

Chhowalla, M.; Shin, H. S.; Eda, G.; Li, L. J.; Loh, K. P.; Zhang, H. The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets. Nat. Chem. 2013, 5, 263–275.
Crossref Google Scholar
3

Tian, H.; Chin, M. L.; Najmaei, S.; Guo, Q. S.; Xia, F. N.; Wang, H.; Dubey, M. Optoelectronic devices based on two-dimensional transition metal dichalcogenides. Nano Res. 2016, 9, 1543–1560.
Crossref Google Scholar
4

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
5

Mak, K. F.; Lee, C.; Hone, J.; Shan, J.; Heinz, T. F. Atomically thin MoS2: A new direct-gap semiconductor. Phys. Rev. Lett. 2010, 105, 136805.
Crossref Google Scholar
6

Rossnagel, K. On the origin of charge-density waves in select layered transition-metal dichalcogenides. J. Phys. Condens. Matter 2011, 23, 213001.
Crossref Google Scholar
7

Liu, M. Z.; Wu, C. W.; Liu, Z. Z.; Wang, Z. Q.; Yao, D. X.; Zhong, D. Y. Multimorphism and gap opening of charge-density-wave phases in monolayer VTe2. Nano Res. 2020, 13, 1733–1738.
Crossref Google Scholar
8

Ugeda, M. M.; Bradley, A. J.; Zhang, Y.; Onishi, S.; Chen, Y.; Ruan, W.; Ojeda-Aristizabal, C.; Ryu, H.; Edmonds, M. T.; Tsai, H. Z. et al. Characterization of collective ground states in single-layer NbSe2. Nat. Phys. 2016, 12, 92–97.
Crossref Google Scholar
9

Xu, J. P.; Liu, C. H.; Wang, M. X.; Ge, J. F.; Liu, Z. L.; Yang, X. J.; Chen, Y.; Liu, Y.; Xu, Z. A.; Gao, C. L. et al. Artificial topological superconductor by the proximity effect. Phys. Rev. Lett. 2014, 112, 217001.
Crossref Google Scholar
10

Qian, X. F.; Liu, J. W.; Fu, L.; Li, J. Quantum spin Hall effect in two-dimensional transition metal dichalcogenides. Science 2014, 346, 1344–1347.
Crossref Google Scholar
11

Thiel, L.; Wang, Z.; Tschudin, M. A.; Rohner, D.; Gutiérrez-Lezama, I.; Ubrig, N.; Gibertini, M.; Giannini, E.; Morpurgo, A. F.; Maletinsky, P. Probing magnetism in 2D materials at the nanoscale with single-spin microscopy. Science 2019, 364, 973–976.
Crossref Google Scholar
12

Duan, R. H.; Deng, Y.; Yang, J. F.; Liu, Z. High-quality 2D TMD crystals synthesized by solid-state reaction in vacuum system and their applications. Chin. J. Vac. Sci. Technol. 2021, 41, 1–21.
Google Scholar
13

Zhao, J. L.; Ma, D. T.; Wang, C.; Guo, Z. N.; Zhang, B.; Li, J. Q.; Nie, G. H.; Xie, N.; Zhang, H. Recent advances in anisotropic two-dimensional materials and device applications. Nano Res. 2021, 14, 897–919.
Crossref Google Scholar
14

Lu, H. L.; Zhang, Y. Y.; Lin, X.; Gao, H. J. Novel two-dimensional transition metal chalcogenides created by epitaxial growth. Sci. China Phys. Mech. Astron. 2021, 64, 106801.
Crossref Google Scholar
15

Qiu, H.; Xu, T.; Wang, Z. L.; Ren, W.; Nan, H. Y.; Ni, Z. H.; Chen, Q.; Yuan, S. J.; Miao, F.; Song, F. Q. et al. Hopping transport through defect-induced localized states in molybdenum disulphide. Nat. Commun. 2013, 4, 2642.
Crossref Google Scholar
16

Cai, L.; He, J. F.; Liu, Q. H.; Yao, T.; Chen, L.; Yan, W. S.; Hu, F. C.; Jiang, Y.; Zhao, Y. D.; Hu, T. D. et al. Vacancy-induced ferromagnetism of MoS2 nanosheets. J. Am. Chem. Soc. 2015, 137, 2622–2627.
Crossref Google Scholar
17

Bao, W.; Borys, N. J.; Ko, C.; Suh, J.; Fan, W.; Thron, A.; Zhang, Y. J.; Buyanin, A.; Zhang, J.; Cabrini, S. et al. Visualizing nanoscale excitonic relaxation properties of disordered edges and grain boundaries in monolayer molybdenum disulfide. Nat. Commun. 2015, 6, 7993.
Crossref Google Scholar
18

van der Zande, A. M.; Huang, P. Y.; Chenet, D. A.; Berkelbach, T. C.; You, Y. M.; Lee, G. H.; Heinz, T. F.; Reichman, D. R.; Muller, D. A.; Hone, J. C. Grains and grain boundaries in highly crystalline monolayer molybdenum disulphide. Nat. Mater. 2013, 12, 554–561.
Crossref Google Scholar
19

Zhang, Z. H.; Zou, X. L.; Crespi, V. H.; Yakobson, B. I. Intrinsic magnetism of grain boundaries in two-dimensional metal dichalcogenides. Acs Nano 2013, 7, 10475–10481.
Crossref Google Scholar
20

Dai, M. J.; Zheng, W.; Zhang, X.; Wang, S. M.; Lin, J. H.; Li, K.; Hu, Y. X.; Sun, E. W.; Zhang, J.; Qiu, Y. F. et al. Enhanced piezoelectric effect derived from grain boundary in MoS2 Monolayers. Nano Lett. 2020, 20, 201–207.
Crossref Google Scholar
21

Zhu, J. Q.; Wang, Z. C.; Dai, H. J.; Wang, Q. Q.; Yang, R.; Yu, H.; Liao, M. Z.; Zhang, J.; Chen, W.; Wei, Z. et al. Boundary activated hydrogen evolution reaction on monolayer MoS2. Nat. Commun. 2019, 10, 1348.
Crossref Google Scholar
22
Pu, M. J.; Wang, D.; Zhang, Z. H.; Guo, Y. F.; Guo, W. L. Flexoelectricity enhanced water splitting and hydrogen evolution reaction on grain boundaries of monolayer transition metal dichalcogenides. Nano Res., in press, DOI: 10.1007/s12274-021-3584-8.https://doi.org/10.1007/s12274-021-3584-8
Crossref
23

Chang, Y. S.; Chen, C. Y.; Ho, C. J.; Cheng, C. M.; Chen, H. R.; Fu, T. Y.; Huang, Y. T.; Ke, S. W.; Du, H. Y.; Lee, K. Y. et al. Surface electron accumulation and enhanced hydrogen evolution reaction in MoSe2 basal planes. Nano Energy 2021, 84, 105922.
Crossref Google Scholar
24

Yuan, S. G.; Pang, S. Y.; Hao, J. H. 2D transition metal dichalcogenides, carbides, nitrides, and their applications in supercapacitors and electrocatalytic hydrogen evolution reaction. Appl. Phys. Rev. 2020, 7, 021304.
Crossref Google Scholar
25

Voiry, D.; Yamaguchi, H.; Li, J. W.; Silva, R.; Alves, D. C. B.; Fujita, T.; Chen, M. W.; Asefa, T.; Shenoy, V. B.; Eda, G. et al. Enhanced catalytic activity in strained chemically exfoliated WS2 nanosheets for hydrogen evolution. Nat. Mater. 2013, 12, 850–855.
Crossref Google Scholar
26

Gordon, R. B.; Bertram, M.; Graedel, T. E. Metal stocks and sustainability. Proc. Natl. Acad. Sci. USA 2006, 103, 1209–1214.
Crossref Google Scholar
27

Fu, J. N.; Ali, R.; Mu, C. H.; Liu, Y. F.; Mahmood, N.; Lau, W. M.; Jian, X. Large-scale preparation of 2D VSe2 through a defect-engineering approach for efficient hydrogen evolution reaction. Chem. Eng. J. 2021, 411, 128494.
Crossref Google Scholar
28

Greeley, J.; Jaramillo, T. F.; Bonde, J.; Chorkendorff, I.; Nørskov, J. K. Computational high-throughput screening of electrocatalytic materials for hydrogen evolution. Nat. Mater. 2006, 5, 909–913.
Crossref Google Scholar
29

Shu, H. B.; Zhou, D.; Li, F.; Cao, D.; Chen, X. S. Defect engineering in MoSe2 for the hydrogen evolution reaction: From point defects to edges. ACS Appl. Mater. Interfaces 2017, 9, 42688–42698.
Crossref Google Scholar
30

Li, H.; Tsai, C.; Koh, A. L.; Cai, L. L.; Contryman, A. W.; Fragapane, A. H.; Zhao, J. H.; Han, H. S.; Manoharan, H. C.; Abild-Pedersen, F. et al. Activating and optimizing MoS2 basal planes for hydrogen evolution through the formation of strained sulphur vacancies. Nat. Mater. 2016, 15, 48–53.
Crossref Google Scholar
31

Kresse, G.; Furthmüller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 1996, 54, 11169–11186.
Crossref Google Scholar
32

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
33

Kresse, G.; Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 1999, 59, 1758–1775.
Crossref Google Scholar
34

Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 1996, 77, 3865–3868.
Crossref Google Scholar
35

Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation. Phys. Rev. B 1993, 48, 4978.
Crossref Google Scholar
36

Grimme, S.; Ehrlich, S.; Goerigk, L. Effect of the damping function in dispersion corrected density functional theory. J. Comput. Chem. 2011, 32, 1456–1465.
Crossref Google Scholar
37

Palotás, K.; Mándi, G.; Szunyogh, L. Enhancement of the spin transfer torque efficiency in magnetic STM junctions. Phys. Rev. B 2016, 94, 064434.
Crossref Google Scholar
38

Nørskov, J. K.; Bligaard, T.; Logadottir, A.; Kitchin, J. R.; Chen, J. G.; Pandelov, S.; Stimming, U. Trends in the exchange current for hydrogen evolution. J. Electrochem. Soc. 2005, 152, J23.
Crossref Google Scholar
39

Peng, J. P.; Guan, J. Q.; Zhang, H. M.; Song, C. L.; Wang, L. L.; He, K.; Xue, Q. K.; Ma, X. C. Molecular beam epitaxy growth and scanning tunneling microscopy study of TiSe2 ultrathin films. Phys. Rev. B 2015, 91, 121113.
Crossref Google Scholar
40

Shkvarin, A. S.; Yarmoshenko, Y. M.; Yablonskikh, M. V.; Merentsov, A. I.; Shkvarina, E. G.; Titov, A. A.; Zhukov, Y. M.; Titov, A. N. The electronic structure formation of CuxTiSe2 in a wide range (0.04 < x < 0.8) of copper concentration. J. Chem. Phys. 2016, 144, 074702.
Crossref
41

Cheng, F.; Hu, Z. X.; Xu, H.; Shao, Y.; Su, J.; Chen, Z.; Ji, W.; Loh, K. P. Interface engineering of Au(111) for the growth of 1T'-MoSe2. Acs Nano 2019, 13, 2316–2323.
Crossref Google Scholar
42

Wang, D. F.; Yu, H.; Tao, L.; Xiao, W. D.; Fan, P.; Zhang, T. T.; Liao, M. Z.; Guo, W.; Shi, D. X.; Du, S. X. et al. Bandgap broadening at grain boundaries in single-layer MoS2. Nano Res. 2018, 11, 6102–6109.
Crossref Google Scholar
43

Liu, Z. L.; Lei, B.; Zhu, Z. L.; Tao, L.; Qi, J.; Bao, D. L.; Wu, X.; Huang, L.; Zhang, Y. Y.; Lin, X. et al. Spontaneous formation of 1D pattern in monolayer VSe2 with dispersive adsorption of Pt atoms for HER catalysis. Nano Lett. 2019, 19, 4897–4903.
Crossref Google Scholar
44

Elibol, K.; Susi, T.; Argentero, G.; Monazam, M. R. A.; Pennycook, T. J.; Meyer, J. C.; Kotakoski, J. Atomic structure of intrinsic and electron-irradiation-induced defects in MoTe2. Chem. Mater. 2018, 30, 1230–1238.
Crossref Google Scholar
45

Lu, J. C.; Bao, D. L.; Qian, K.; Zhang, S.; Chen, H.; Lin, X.; Du, S. X.; Gao, H. J. Identifying and visualizing the edge terminations of single-layer MoSe2 island epitaxially grown on Au(111). Acs Nano 2017, 11, 1689–1695.
Crossref Google Scholar
46

Li, S.; Lee, J. K.; Zhou, S.; Pasta, M.; Warner, J. H. Synthesis of surface grown Pt nanoparticles on edge-enriched MoS2 porous thin films for enhancing electrochemical performance. Chem. Mater. 2019, 31, 387–397.
Crossref Google Scholar
47

Wang, C. L.; Jin, M. G.; Liu, D. M.; Liang, F.; Luo, C.; Li, P. L.; Cai, C. H.; Bi, H. C.; Wu, X.; Di, Z. F. VSe2 quantum dots with high-density active edges for flexible efficient hydrogen evolution reaction. J. Phys. D:Appl. Phys. 2021, 54, 214006.
Crossref Google Scholar
Nano Research
Volume 15 Issue 5,
May 2022
Pages 4687-4692
DOI: 10.1007/s12274-021-4002-y
Cite this article:
Song Z, Yi J, Qi J, et al. Line defects in monolayer TiSe2 with adsorption of Pt atoms potentially enable excellent catalytic activity. Nano Research, 2022, 15(5): 4687-4692. https://doi.org/10.1007/s12274-021-4002-y
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Epitaxial growth

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Received: 26 September 2021
Revised: 12 November 2021
Accepted: 16 November 2021
Published: 18 December 2021
© Tsinghua University Press and Springer-Verlag GmbH Germany, part of Springer Nature 2021
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