Recent publications

Lishu Zhang*, Mahmoud Zeer, Dongwook Go, Theodoros Adamantopoulos, Peter Schmitz, Stefan Blügel, Chengwang Niu, Yuriy Mokrousov, Shishen Yan, Hyunsoo Yang, and Lei Shen*. Coexistence and Tunability of Orbital and Spin Hall Effects in RuO₂. Physical Review Letters (2026), accepted. DOI: 10.1103/lf8d-26b6.

Junnan Guo, Himanshu Mavani, Wenhui Fang, Jifeng Tang, Wenhao Li, Weikang Wu*, Hui Li*, Evgeny Y. Tsymbal*, and Lishu Zhang*. Termination-Preserved Ultrahigh Tunneling Magnetoresistance in Altermagnetic KV₂Se₂O. ACS Nano 20, 18900–18910 (2026). DOI: 10.1021/acsnano.6c05425.

Publications (* corresponding author; # equal contribution)

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2026

1. Wenhui Fang, Junnan Guo, Jian Huang, Jifeng Tang, Wenhao Li, Qian Zhang, Weikang Wu*, Lishu Zhang*, Hui Li*. Transport Regulation and Quantum Interference Switching in Pyrrole–Graphene Junctions. The Journal of Physical Chemistry Letters 17, 7522–7531 (2026).

2. Lishu Zhang*, Mahmoud Zeer, Dongwook Go, Theodoros Adamantopoulos, Peter Schmitz, Stefan Blügel, Chengwang Niu, Yuriy Mokrousov, Shishen Yan*, Hyunsoo Yang, Lei Shen*. Coexistence and Tunability of Orbital and Spin Hall Effects in RuO₂. Physical Review Letters (2026), accepted. DOI: 10.1103/lf8d-26b6.

3. Junnan Guo, Himanshu Mavani, Wenhui Fang, Jifeng Tang, Wenhao Li, Weikang Wu*, Hui Li*, Evgeny Y. Tsymbal*, Lishu Zhang*. Termination-Preserved Ultrahigh Tunneling Magnetoresistance in Altermagnetic KV₂Se₂O. ACS Nano 20, 18900–18910 (2026).

4. Jia-Min Lai, Rui Hou, Zhi Yan, Mingfen Jin, Fei Wang*, Junnan Guo, Yajing Zhang, Kaiwei Guo, Pengnan Zhao, Bingyue Bian, Yaohui Du, Wentian Lu, Hongru Wang, Zhonghai Yu, Guoyi Shi, Liang Liu, Guoqiang Yu, Lishu Zhang*, Delin Zhang*, Yong Jiang, Xiaohong Xu*. All-Electric Low-Power Switching of Perpendicular Magnetization by Low-Crystal-Symmetry Weyl Semimetal NbIrTe₄. ACS Nano 20, 16316–16324 (2026).

5. Mengshuang Fu, Xingfan Zhang, Zhichao Li, Qingshui Liu, Lishu Zhang*, Weikang Wu*, Hui Li*. Atomic Insights into the Oxidation-Induced Softening of Fe–Ni Nanowires. Journal of Materials Research and Technology 42, 7255–7265 (2026).

6. Junnan Guo, Wenhui Fang, Jifeng Tang, Jian Huang, Qian Zhang, Lishu Zhang*, Weikang Wu*, Hui Li*. Theoretical Insights into Multi-Field-Modulated Donor–Acceptor Cyclo[n]carbon Rectifiers. Carbon 256, 121662 (2026).

7. Qingshui Liu, Feilong Shi, Zhichao Li, Wenlong Liu, Jifeng Tang, Mengshuang Fu, Lishu Zhang*, Weikang Wu*, Hui Li*. How Metal Droplets Wet and Solidify on Surfaces with Sinusoidal Structures? Surfaces and Interfaces, 109303 (2026).

8. Mengshuang Fu, Xingfan Zhang, Yuying Wu, Qingshui Liu, Zhichao Li, Lishu Zhang*, Weikang Wu*, Hui Li*. Island Growth on Oxide Film of Cu Surfaces: Insights from Reactive Molecular Dynamics. Applied Surface Science, 166597 (2026).

9. Yuhe Yang, Yifan Yang, Pengfei Liu, Delin Zhang*, Ping Wang, Cheng Chen, Jinyu Duan, Peng Lu, Heshuang Wei, Wei Jiang, Wentao Hou, Jing Kong, Shuai Hu, Lishu Zhang*, Liang Liu*, Yue Li, Wenhong Wang, Yong Jiang*. Enhanced Orbital Torque Efficiency and Magnetization Switching Through M (M = MgO, Gd, and Pt) Doping Ti Orbital Hall Channel for Efficient Orbitronic Devices. Advanced Functional Materials 36, e05410 (2026).

10. Junnan Guo, Wenhui Fang, Jian Huang, Weikang Wu*, Hui Li*, Lishu Zhang*. Selective Fermi-Level Pinning: A Design Strategy for Giant Rectification in Molecular Junctions. arXiv:2605.23370 (2026).

11. Junnan Guo, Shufan Song, Wenhui Fang, Jifeng Tang, Wenhao Li, Weikang Wu, Hui Li*, Shishen Yan*, Lishu Zhang*. Engineering Molecular Rectification: Mechanisms, Modulation Strategies, and Device Integration. arXiv:2605.28381 (2026).

2025

12. Xuxuan Huang, Teli Lin, Qian Liu, Zihao Cheng, Junmei Du, Jiao Chen, Lishu Zhang, Lei Shen, Yuanzheng Chen. Machine Learning-Accelerated Exploration of Ferromagnetic–Ferroelectric Multiferroics in Element-Substituted 2D Transition-Metal Dichalcogenides. Physical Review Materials 9, 124417 (2025).

13. Lishu Zhang*, Jun Zhou, Jie Yang, Sumit Ghosh, Yi-Ming Zhao, Yuan Ping Feng, Lei Shen. Lifting Spin Degeneracy in Rhombohedral Trilayer Graphene for High Magnetoresistance Applications. The Journal of Physical Chemistry Letters 16, 11933–11938 (2025).

14. Wenhui Fang, Lishu Zhang*, Junnan Guo, Jian Huang, Jifeng Tang, Yanyan Jiang, Weikang Wu*, Hui Li*. Enhanced Quantum Transport in All-Carbon Molecular Junctions Based on Topologically Tailored Cyclocarbon Nanostructures. Applied Physics Reviews 12, 041408 (2025).

15. Jian Huang#, Wenhui Fang#, Junnan Guo, Jifeng Tang, Yanyan Jiang, Lishu Zhang, Weikang Wu*, Hui Li*. Origin of the Magneto-Volume Effect in Icosahedral Fe₁₂X (X = Ti, Fe, Co, Ni) Clusters. Rare Metals 44, 6388–6401 (2025).

16. Mengshuang Fu, Ruilin Bai, Xingfan Zhang, Qingshui Liu, Zhichao Li, Chengjiao Che, Sujuan Cheng, Lishu Zhang, Weikang Wu, Hui Li. Oxidation Mechanism Transition and Phase Separation in Fe–Ni Alloy Nanowires: Bridging Experiments with Molecular Dynamics. Applied Surface Science, 164556 (2025).

17. Junnan Guo, Jie Li, Jian Huang, Wenhui Fang, Lishu Zhang, Weikang Wu*, Hui Li*. Negative Differential Resistance and Transport Regularity in Aromatic Cyclo[n]carbon-Based (n = 4k + 2) Molecular Devices. Journal of Materials Chemistry C 13, 7866–7877 (2025).

18. Junnan Guo, Wenhui Fang, Jian Huang, Lishu Zhang, Weikang Wu*, Hui Li*. Nonlinear Transport Behaviors in Anti-Aromatic Cyclo[n]carbon-Based (n = 4k) Molecular Devices. Journal of Materials Chemistry C 13, 6527–6538 (2025).

19. Xuan Zhang, Lishu Zhang, Meilin Liu, Chin Boon Chng, Eddy Pang Yi Ler, Jinrun Zhou, Naoji Matsuhisa, Yu Jun Tan*. Self-Healing and Hyperelastic Magneto-Iono-Elastomers Through Molecular Confinement of Magnetic Anions. Science Advances 11, eadq7441 (2025).

2024

20. Lishu Zhang*, Zhengping Yuan, Jie Yang, Jun Zhou, Yanyan Jiang, Hui Li, Yongqing Cai, Evgeny Y. Tsymbal, Yuan Ping Feng, Zhifeng Zhu*, Lei Shen*. Van der Waals Spin-Orbit Torque Antiferromagnetic Memory. Physical Review B 110, L220409 (2024).

21. Hao Chen#, Wanghao Tian#, Lishu Zhang#, Peng Song*, Lanxin Jia, Jingsheng Chen, Zhifeng Zhu, Yuan Ping Feng, Kian Ping Loh*. Highly Efficient Spin Injection and Readout Across Van der Waals Interface. Small 20, 2403073 (2024).

22. Theodoros Adamantopoulos, Maximilian Merte, Frank Freimuth, Dongwook Go, Lishu Zhang, Marjana Ležaić, Wanxiang Feng, Yugui Yao, Jairo Sinova, Libor Šmejkal, Stefan Blügel, Yuriy Mokrousov*. Spin and Orbital Magnetism by Light in Rutile Altermagnets. npj Spintronics 2, 46 (2024).

23. Lishu Zhang*. First-Principles Calculations of Transport Properties in Lead-Based Nanomaterials: A Mini Review. Computational Materials Science 231, 112549 (2024). Invited article.

2023

24. Lishu Zhang*, Hui Li, Yanyan Jiang, Zishen Wang, Tao Li, Sumit Ghosh. Current-Driven Magnetoresistance in van der Waals Spin-Filter Antiferromagnetic Tunnel Junctions with MnBi₂Te₄. Physical Review Applied 20, 044056 (2023).

25. Zishen Wang, Jing-Yang You, Chuan Chen, Jinchao Mo, Jingyu He, Lishu Zhang, Jun Zhou, Kian Ping Loh, Yuan Ping Feng. Interplay of the Charge Density Wave Transition with Topological and Superconducting Properties. Nanoscale Horizons 8, 1395–1402 (2023).

26. Junnan Guo, Xinyue Dai, Lishu Zhang, Hui Li*. Electron Transport Properties of Graphene/WS₂ van der Waals Heterojunctions. Molecules 28, 6866 (2023).

27. Qiangbing Guo#*, Xiao-Zhuo Qi#, Lishu Zhang#, Meng Gao#, Sanlue Hu, Wenju Zhou, Wenjie Zang, Xiaoxu Zhao, Junyong Wang, Bingmin Yan, Mingquan Xu, Yun-Kun Wu, Goki Eda, Zewen Xiao, Shengyuan A. Yang, Huiyang Gou, Yuan Ping Feng, Guang-Can Guo, Wu Zhou, Xi-Feng Ren*, Cheng-Wei Qiu*, Stephen J. Pennycook*, Andrew T. S. Wee*. Ultrathin Quantum Light Source with van der Waals NbOCl₂ Crystal. Nature 613, 53–59 (2023).

2022

28. Peiru Zheng#, Lishu Zhang#, Xingfan Zhang, Yingjie Ma, Yanyan Jiang*, Hui Li*. Parallel-Self-Assembling Stack, Center-Capture Effect, and Reactivity-Enhancing Effect of N-Layer (N = 1, 2, 3) Cyclo[18]carbon. ACS Nano 16, 21345–21355 (2022).

29. Guang Xia#, Lishu Zhang#, Jiajia Ye#, Zhanghua Fu, Xuting Li, Xiaoxia Yang, Zhiqiang Zheng, Chuanzhong Chen*, Cheng Hu*. Amorphous Transformation of FeP Enabling Enhanced Sulfur Catalysis and Anchoring in High-Performance Li–S Batteries. Chemical Engineering Journal 431, 133705 (2022).

2021

30. Peiru Zheng, Lishu Zhang, Xingfan Zhang, Yingjie Ma, Junping Qian, Yanyan Jiang*, Hui Li*. Hydrogenation of TiO₂ Nanosheets and Nanoparticles: Typical Reduction Stages and Orientation-Related Anisotropic Disorder. Journal of Materials Chemistry A 9, 22603–22614 (2021).

31. Zhuoling Jiang, Kah Meng Yam, Na Guo, Lishu Zhang, Lei Shen, Chun Zhang*. Prominent Nonequilibrium Effects Beyond the Standard First-Principles Approach in Nanoscale Electronic Devices. Nanoscale Horizons 6, 801–808 (2021).

32. Tao Li*, Lishu Zhang*, Hui Li*. Controllable Coalescence Dynamics of Nanodroplets on Textured Surfaces Decorated with Well-Designed Wrinkled Nanostructures: A Molecular Dynamics Study. Langmuir 37, 11414–11421 (2021).

33. Lishu Zhang, Jun Zhou, Hui Li*, Lei Shen*, Yuan Ping Feng*. Recent Progress and Challenges in Magnetic Tunnel Junctions with 2D Materials for Spintronic Applications. Applied Physics Reviews 8, 021308 (2021). Featured; ESI Highly Cited Paper.

34. Tao Li, Lishu Zhang, Mingyu Li, Meng Yan, Erli Ni, Ying Ruan, Hui Li*. Non-Retraction Rebound of the Impacting Nano-Droplets. Journal of Molecular Liquids 329, 115521 (2021).

35. Tao Li, Jiawei Li, Meng Yan, Lishu Zhang, Chengrui Fu, Ying Ruan*, Hui Li*. Investigation of Triple-Coalescence Behaviors for Comprehensively Understanding the Structural Evolution of Coalesced TiAl Droplets from an Atomic-Level View. Journal of Alloys and Compounds 859, 157791 (2021).

2020

36. Lishu Zhang, Tao Li, Jie Li, Yanyan Jiang*, Jiaren Yuan*, Hui Li*. Perfect Spin Filtering Effect on Fe₃GeTe₂-Based van der Waals Magnetic Tunnel Junctions. The Journal of Physical Chemistry C 124, 27429–27435 (2020). Cover Art.

37. Lishu Zhang, Tao Li, Yuan Ping Feng*, Hui Li*, Lei Shen*. Highly Sensitive and Selective Sensors for CF₄ Gas Molecules Based on Two-Node Hollow Fullerene. Advanced Materials Interfaces 7, 2000985 (2020). Cover Art.

38. Yuyao Lu#, Kaichen Xu#, Lishu Zhang, Minako Deguchi, Hiroaki Shishido, Takayuki Arie, Ruihua Pan, Akitoshi Hayashi, Lei Shen, Seiji Akita, Kuniharu Takei*. Multimodal Plant Healthcare Flexible Sensor System. ACS Nano 14, 10966–10975 (2020).

39. Lishu Zhang, Hui Li*, Yuan Ping Feng*, Lei Shen*. Diverse Transport Behaviors in Cyclo[18]carbon-Based Molecular Devices. The Journal of Physical Chemistry Letters 11, 2611–2617 (2020). Cover Art.

40. Yujie Xia, Tao Li, Chao Yuan, Cameron Fletcher, Xinyue Dai, Xingfan Zhang, Lishu Zhang, Yanyan Jiang*, Hui Li*. Odd–Even Effects on Transport Properties of Polycyclic Arene Molecular Devices with Decreasing Numbers of Benzene Rings. ChemPhysChem 21, 568–574 (2020).

2019

41. Tao Li, Mingyu Li, Lishu Zhang, Meng Yan, Hui Li*. Molecular Dynamics Study of the Temperature-Dependent Coalescence of Liquid Nanodrops: Implications for Microfluidics. ACS Applied Nano Materials (2019).

42. Jingjing Yang, Fenglong Wang, Huiqing Yuan, Lishu Zhang, Yanyan Jiang*, Xue Zhang, Chao Liu, Li Chai, Hui Li*, Martina Stenzel*. Recent Advances in Ultra-Small Fluorescent Au Nanoclusters Toward Oncological Research. Nanoscale 11, 17967–17980 (2019).

43. Xinyue Dai, Lishu Zhang, Yanyan Jiang*, Hui Li*. Tuning Electronic Properties of Boron Phosphide Nanoribbons by Edge Passivation and Deformation. Physical Chemistry Chemical Physics 21, 15392–15399 (2019).

44. Lishu Zhang, Jiaren Yuan, Lei Shen, Cameron Fletcher, Xingfan Zhang, Tao Li, Xinyue Dai, Yanyan Jiang*, Hui Li*. Taper-Shaped Carbon-Based Spin Filter. Applied Surface Science 495, 143501 (2019).

45. Lishu Zhang, Xinyue Dai, Tao Li, Hui Li*. Chemical Modification, Field Effect Transistors and Voltage-Driven Spin Logic Gates of Tailored Monolayer MoS₂ Nanoflakes. Applied Surface Science 481, 910–918 (2019).

46. Tao Li, Yujie Xia, Lishu Zhang, Xingfan Zhang, Chengrui Fu, Yanyan Jiang*, Hui Li*. Effects of Stripy Surfaces with Intervals on the Coalescence Dynamics of Nano-Droplets: Insights from Molecular Dynamics Simulations. Applied Surface Science 481, 951–959 (2019).

47. Xinyue Dai, Lishu Zhang, Yanyan Jiang*, Hui Li*. Electronic Transport Properties of Phosphorene/Graphene (Silicene/Germanene) Bilayer Heterostructures: A First-Principles Exploration. Ceramics International 45, 11584–11590 (2019).

48. Tao Li, Junjun Wang, Fenglong Wang, Lishu Zhang, Yanyan Jiang*, Hamidreza Arandiyan*, Hui Li*. The Effect of Surface Wettability and Coalescence Dynamics in Catalytic Performance and Catalyst Preparation: A Review. ChemCatChem 11, 1576–1586 (2019).

49. Xinyue Dai, Lishu Zhang, Zhichao Wang, Jie Li, Hui Li*. Effect of C and O Dopant Atoms on the Electronic Properties of Black Phosphorus Nanotubes. Computational Materials Science 156, 292–300 (2019).

50. Yujie Xia, Xingfan Zhang, Chao Yuan, Lishu Zhang, Xinyue Dai, Tao Li, Chengrui Fu, Hui Li*. Effects of Molecular Combination and Side Groups for Thiophene–Benzene-Based Nanodevices. The Journal of Physical Chemistry C 123, 2766–2774 (2019).

51. Yujie Xia, Jie Li, Xinyue Dai, Lishu Zhang, Xingfan Zhang, Yifan Li, Yanyan Jiang*, Hui Li*. Theoretical Study of Electron Transport Properties of SiₘCₙ/Cₙ Clusters Tethered on Graphene Nanoribbon. Ceramics International 45, 530–538 (2019).

2018

52. Tao Li, Lishu Zhang, Zhichao Wang, Yunrui Duan, Jie Li, Junjun Wang, Hui Li*. Bouncing Dynamics of Liquid Drops Impact on Ridge Structure: An Effective Approach to Reduce the Contact Time. Physical Chemistry Chemical Physics 20, 16493–16500 (2018).

53. Xinyue Dai, Lishu Zhang, Jie Li, Zhichao Wang, Hui Li*. Electronic Transport Properties of Heterojunction Devices Constructed by Single-Wall Fe₂Si and Carbon Nanotubes. Journal of Materials Chemistry C 6, 5794–5802 (2018).

54. Lishu Zhang, Xinyue Dai, Jie Li, Zhichao Wang, Hui Li*. Electronic Transport Properties of Heterojunction Pb/Pb–Si Nanochain Devices. Computational Materials Science 155, 216–223 (2018).

55. Lishu Zhang, Yifan Li, Tao Li, Hui Li*. Electronic Transport Properties of PbSi Schottky-Clamped Transistors with a Surrounding Metal–Insulator Gate. RSC Advances 8, 1519–1527 (2018).

56. Lishu Zhang, Tao Li, Yanyan Jiang*, Hamidreza Arandiyan*, Hui Li*. “Y”-Shaped BP/PbS/PbSe Nano-Devices Based on Silicon Carbide Nanoribbons. RSC Advances 8, 35050–35055 (2018).

57. Zhichao Wang, Yunrui Duan, Tao Li, Lishu Zhang, Xinyue Dai, Xingfan Zhang, Yao Liu*, Yanyan Jiang*, Hui Li*. Liquid–Liquid Phase Transition in Nanoconfined Si-Rich SiO₂ Liquids. Computational Materials Science 154, 426–434 (2018).

58. Lishu Zhang, Xinyue Dai, Tao Li, Jie Li, Hui Li*. CH₃NH₃PbX₃ (X = I, Br) Encapsulated in Silicon Carbide/Carbon Nanotube as Advanced Diodes. Scientific Reports 8 (2018).

59. Tao Li, Lishu Zhang, Xingfan Zhang, Hui Li*. Effect of Curved Surfaces on the Impacting Nano-Droplets and Their Shape Control: A Molecular Dynamics Simulation Study. Applied Surface Science 454, 192–200 (2018).

2017

60. Xinyue Dai, Lishu Zhang, Jie Li, Hui Li*. Metal–Semiconductor Transition of Single-Wall Armchair Boron Nanotubes Induced by Atomic Depression. The Journal of Physical Chemistry C 121, 26096–26101 (2017).

61. Lishu Zhang, Xinyue Dai, Yi Zhou, Zhenyang Zhao, Longwei Yin, Hui Li*. Theoretical Study of Electronic Transport Properties of Lead Nanowires Doped with Silicon. Computational Materials Science 136, 198–206 (2017).

62. Xinyue Dai, Yi Zhou, Jie Li, Lishu Zhang, Zhenyang Zhao, Hui Li*. Electronic Transport Properties of Single-Wall Boron Nanotubes. Chinese Physics B 26, 087310 (2017).

63. Lishu Zhang, Yi Zhou, Xinyue Dai, Zhenyang Zhao, Hui Li*. Electronic Transport Properties of Lead Nanowires. Chinese Physics B 26, 073102 (2017).