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Chin. Phys. B, 2026, Vol. 35(8): 087101    DOI: 10.1088/1674-1056/ae64d7
RAPID COMMUNICATION Prev  

Reversible self-intercalation in trilayer 1T-NiTe2

Qian Fang(方迁)1,2, Zihao Huang(黄子豪)1,2, Runnong Zhou(周润农)1,2, Lei Tao(陶蕾)2, Chen Liu(刘晨)3, Xianghe Han(韩相和)1,2, Li Huang(黄立)1,2, Xiao Lin(林晓)2, Hui Guo(郭辉)1,2,†, Hui Chen(陈辉)1,2,‡, and Hong-Jun Gao(高鸿钧)1,2
1 Beijing National Center for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;
2 School of Physical Sciences, University of Chinese Academy of Sciences, Beijing 100190, China;
3 Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, China
Abstract  Self-intercalation in layered transition metal dichalcogenides provides a promising route for modulating lattice structures and electronic properties without introducing extrinsic species. As an emerging type-II Dirac semimetal, 1T-NiTe$_{2}$ has attracted considerable interest in the two-dimensional limit. However, reversible self-intercalation in atomically thin NiTe$_{2}$ has not been reported. Here, we report a reversible self-intercalation process in trilayer 1T-NiTe$_{2}$ synthesized on a graphene substrate via van der Waals epitaxy. Upon post-annealing, Te desorption drives the spontaneous incorporation of Ni atoms into the van der Waals gaps, forming an ordered $\surd 3\times \surd 3$ superstructure, which can be fully reversed under Te-rich conditions. Scanning tunneling microscopy reveals the formation of this superstructure, accompanied by a modulation of the electronic states near the Fermi level. Furthermore, field emission resonance measurements demonstrate a clear modulation of the local work function induced by self-intercalation, indicative of an intercalation-driven redistribution of electronic density. Our work establishes reversible self-intercalation as an effective route for engineering superlattice potentials and tuning surface electronic properties in two-dimensional materials.
Keywords:  NiTe$_{2}$      self-intercalation      van der Waals material      scanning tunneling microscopy  
Received:  31 March 2026      Revised:  22 April 2026      Accepted manuscript online:  27 April 2026
PACS:  71.20.Tx (Fullerenes and related materials; intercalation compounds)  
  07.79.Cz (Scanning tunneling microscopes)  
  63.22.Np (Layered systems)  
  68.65.Cd (Superlattices)  
Fund: This work is supported by the National Key Research and Development Program of China (Grant No. 2022YFA1204100), the National Natural Science Foundation of China (Grant Nos. 62488201, 52572188, and 92580202), the CAS Project for Young Scientists in Basic Research (Grant Nos. YSBR-053 and YSBR-003).
Corresponding Authors:  Hui Chen, Hui Guo     E-mail:  hchenn04@iphy.ac.cn;guohui@iphy.ac.cn

Cite this article: 

Qian Fang(方迁), Zihao Huang(黄子豪), Runnong Zhou(周润农), Lei Tao(陶蕾), Chen Liu(刘晨), Xianghe Han(韩相和), Li Huang(黄立), Xiao Lin(林晓), Hui Guo(郭辉), Hui Chen(陈辉), and Hong-Jun Gao(高鸿钧) Reversible self-intercalation in trilayer 1T-NiTe2 2026 Chin. Phys. B 35 087101

[1] Manzeli S, Ovchinnikov D, Pasquier D, Yazyev O V and Kis A 2017 Nat. Rev. Mater. 2 17033
[2] Lin X, Lu J C, Shao Y, Zhang Y Y, Wu X, Pan J B, Gao L, Zhu S Y, Qian K, Zhang Y F, Bao D L, Li L F, Wang Y Q, Liu Z L, Sun J T, Lei T, Liu C, Wang J O, Ibrahim K, Leonard D N, Zhou W, Guo H M, Wang Y L, Du S X, Pantelides S T and Gao H J 2017 Nat. Mater. 16 717
[3] Pan Y, Zhang H G, Shi D X, Sun J T, Du S X, Liu F and Gao H J 2009 Adv. Mater. 21 2777
[4] Li G, Zhang Y, Guo H, Huang L, Lu H, Lin X, Wang Y L, Du S and Gao H J 2018 Chem. Soc. Rev. 47 6073
[5] Wang Y, Li L, Yao W, Song S, Sun J T, Pan J, Ren X, Li C, Okunishi E, Wang Y, Wang E, Shao Y, Zhang Y, Yang H, Schwier E, Iwasawa H, Shimada K, Taniguchi M, Cheng Z, Zhou S, Du S, Pennycook S, Pantelides S T and Gao H J 2015 Nano Lett. 15 4013
[6] Zeng F, Wang W B and Tang B Y 2015 Chin. Phys. B 24 097103
[7] Bian C, Zhao Y, Guzman R, Liu H, Hu H, Qi Q, Zhu K, Wang H, Wu K, Guo H, He W, Wang Z, Peng P, Xu Z, Zhou W, Ding F, Yang H and Gao H J 2026 Nat. Mater.
[8] Zhao X, Song P, Wang C, Riis-Jensen A C, Fu W, Deng Y, Wan D, Kang L, Ning S, Dan J, Venkatesan T, Liu Z, Zhou W, Thygesen K S, Luo X, Pennycook S J and Loh K P 2020 Nature 581 171
[9] Guo H, Zhang R, Li H, Wang X, Lu H, Qian K, Li G, Huang L, Lin X, Zhang Y, Ding H, Du S X, Pantelides S T, Gao H J 2020 Nano Lett. 20 2674
[10] Lasek K, Coelho P M, Zberecki K, Xin Y, Kolekar S K, Li J and Batzill M 2020 ACS Nano 14 8473
[11] Yang R, Mei L, Lin Z, Fan Y, Lim J, Guo J, Liu Y, Shin H S, Voiry D, Lu Q, Li J and Zeng Z 2024 Nat. Rev. Chem. 8 410
[12] Chen H, Bao D L, Wang D F, Que Y D, Xiao W D, Qian G J, Guo H, Sun J T, Zhang Y Y, Du S X, Pantelides S T and Gao H J 2018 Adv. Mater. 30 1801838
[13] Rajapakse M, Karki B, Abu U O, Pishgar S, Musa M R K, Riyadh S M S, Yu M, Sumanasekera G and Jasinski J B 2021 npj 2D Mater. Appl. 5 30
[14] Guo H, Wang X, Huang L, Jin X, Yang Z, Zhou Z, Hu H, Zhang Y, Lu H, Zhang Q, Shen C, Lin X, Gu L, Dai Q, Bao L, Du S, Hofer W, Pantelides S T, Gao H J 2020 Nano Lett. 20 8584
[15] Niu J, Zhang W, Li Z, Yang S, Yan D, Chen S, Zhang Z, Zhang Y, Ren X, Gao P, Shi Y, Yu D and Wu X 2020 Chin. Phys. B 29 097104
[16] Guzman R, Liu H, Bian C, Bao L, Shen C M, Gao H J and Zhou W 2024 Adv. Funct. Mater. 34 2401304
[17] Li J, Zhao S, Zhuang L and Hou Y 2025 Chin. Phys. B 34 036301
[18] Liu H, Xue Y, Shi J A, Guzman R A, Zhang P, Zhou Z, He Y, Bian C, Wu L, Ma R, Chen J, Yan J, Yang H, Shen C M, Zhou W, Bao L and Gao H J 2019 Nano Lett. 19 8572
[19] Xie Y, Lv S, Qi Q, Hu G, Zhu K, Zhao Z, Xian G, Han Y, Wang R, Bai C, Bao L, Lin X, Guo H, Yang H and Gao H J 2025 Chin. Phys. B 34 087303
[20] Saha R, Meyerheim H L, Göbel B, Hazra B K, Deniz H, Mohseni K, Antonov V, Ernst A, Knyazev D, Bedoya-Pinto A, Mertig I and Parkin S S P 2022 Nat. Commun. 13 3965
[21] Fujisawa Y, Pardo-Almanza M, Garland J, Yamagami K, Zhu X, Chen X, Araki K, Takeda T, Kobayashi M, Takeda Y, Hsu C H, Chuang F C, Laskowski R, Khoo K H, Soumyanarayanan A and Okada Y 2020 Phys. Rev. Mater. 4 114001
[22] Miao G, Gu M, Sun H, Chen P, Li J, Xue S, Su N, Su Z, Zhong W, Zhang Z, Zhu X, Zhang J, Yao Y, JiangW, Meng M,WangW and Guo J 2025 Adv. Electron. Mater. 11 2400720
[23] Liu Y, Liu Y, Dan J, Liu W, Wang L, Hu K, Wang W, Zhang L, Ge B, Du H and Song D 2025 Adv. Funct. Mater. 35 2414699
[24] Wang H, Zhang J, Shen C, Yang C, Küster K, Deuschle J, Starke U, Zhang H, Isobe M, Huang D, van Aken P A and Takagi H 2024 Nat. Commun. 15 2541
[25] Zhang H, Rousuli A, Zhang K, Luo L, Guo C, Cong X, Lin Z, Bao C, Zhang H, Xu S, Feng R, Shen S, Zhao K, Yao W, Wu Y, Ji S, Chen X, Tan P, Xue Q K, Xu Y, Duan W, Yu P and Zhou S 2022 Nat. Phys. 18 1425
[26] Liu Q, Bai J, Dong Q, Zhang L, Cheng J, Liu P, Li C, Huang Y, Sun Y, Ren Z and Chen G 2025 Chin. Phys. B 34 017502
[27] Shi M, Kang B, Wu T and Chen X H 2022 Chin. Phys. B 31 107403
[28] Xu C, Li B, Jiao W H, Zhou W, Qian B, Sankar R, Zhigadlo N, Qi Y, Qian D, Chou F and Xu X 2018 Chem. Mater. 30 4823
[29] Bhatt N, Ali A, Sharma D, Bansal S, Mandal M, Singh R P and Singh R S 2025 Phys. Rev. B 111 245157
[30] Ferreira P P, Manesco A L R, Dorini T T, Correa L E, Weber G, Machado A J S and Eleno L T F 2021 Phys. Rev. B 103 125134
[31] Zheng F, Li X B, Tan P, Lin Y, Xiong L, Chen X and Feng J 2020 Phys. Rev. B 101 100505
[32] He C, Zhao J Z, Du M, Zhang L, Zhang J, Yang K, Yuan N, Seliverstov A, Janssens E, Ge J and Li Z 2025 Phys. Rev. Lett. 135 126607
[33] Zhang J and Huang G 2020 J. Phys.: Condens. Matter 32 205702
[34] Ghosh B, Mondal D, Kuo C N, Lue C S, Nayak J, Fujii J, Vobornik I, Politano A and Agarwal A 2019 Phys. Rev. B 100 195134
[35] Huang Z, Xian G, Xiao X, Han X, Qian G, Shen C, Yang H, Chen H, Liu B, Wang Z and Gao H J 2023 Nano Lett. 23 3274
[36] Hlevyack J A, Feng L Y, Lin M K, Villaos R A B, Liu R Y, Chen P, Li Y, Mo S K, Chuang F C and Chiang T C 2021 npj 2D Mater. Appl. 5 40
[37] Guo H, Huang Z, Gao Y, Chen H, Zhang H, Fang Q, Ye Y, Han X, Cao Z, Wang J, Zhou R, Li Z, Shen C, Yang H, Chen H, Yao W, Wang Z and Gao H J 2025 Nat. Commun. 16 11327
[38] Anantharaj S, Karthick K and Kundu S 2018 Inorg. Chem. 57 3082
[39] Chia X, Sofer Z, Luxa J and Pumera M 2017 Chem. Eur. J. 23 11719
[40] Shi J, Huan Y, Xiao M, Hong M, Zhao X, Gao Y, Cui F, Yang P, Pennycook S J, Zhao J and Zhang Y 2020 ACS Nano 14 9011
[41] Fazeli Y, Nourbakhsh Z, Yalameha S and Vashaee D 2025 Nanomaterials 15 148
[42] Guo Y, Kang L, Zeng Q, Xu M, Li L, Wu Y, Yang J, Zhang Y, Qi X, Zhao W, Zhang Z and Liu Z 2021 Nanotechnology 32 235204
[43] Zhang L, Chen Z, Zhang K, Wang L, Xu H, Han L, Guo W, Yang Y, Kuo C N, Lue C S, Mondal D, Fuji J, Vobornik I, Ghosh B, Agarwal A, Xing H, Chen X, Politano A and Lu W 2021 Nat. Commun. 12 1584
[44] Pan S, Hong M, Zhu L, QuanW, Zhang Z, Huan Y, Yang P, Cui F, Zhou F, Hu J, Zheng F and Zhang Y 2022 ACS Nano 16 11444
[45] Binnig G, Frank K H, Fuchs H, Garcia N, Reihl B, Rohrer H, Salvan F and Williams A R 1985 Phys. Rev. Lett. 55 991
[46] Becker R S, Golovchenko J A and Swartzentruber B S 1985 Phys. Rev. Lett. 55 987
[47] Gundlach K H 1966 Solid-State Electron. 9 949
[48] Fowler R H and Nordheim L 1928 Proc. R. Soc. Lond. A 119 173
[49] Schulz F, Drost R, Hämäläinen S K, Demonchaux T, Seitsonen A P and Liljeroth P 2014 Phys. Rev. B 89 235429
[50] Kolesnychenko O, Kolesnichenko A, Shklyarevskii O I and van Kempen H 2000 Physica B 291 246
[51] Borca B and Zandvliet H J W 2024 Appl. Mater. Today 39 102304
[52] Kresse G and Furthmüller J 1996 Phys. Rev. B 54 11169
[53] Kresse G and Joubert D 1999 Phys. Rev. B 59 1758
[54] Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[55] Grimme S, Ehrlich S and Goerigk L 2011 J. Comput. Chem. 32 1456
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