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Assistant Professor


Assistant Professor



Based on state-of-the-art density functional theory in combination with tight-binding and model calculations and Monte Carlo, we study: -  Spintronics: topological spintronics, ferroelectric spintronics, molecular spintronics, 2D spintronics

-  2D materials, topological materials and ferroelectric materials, and their relation to electronics, spintronics and catalysis

-  Surfaces, interfaces, spin and magnetism: spinterface and interface-assisted spintronics

-  Materials growth on surfaces: (quasi-) 2D materials, molecules self-assembly on surfaces

-  Surfaces, interfaces, 2D material edges, and atomic defects; their device performance, design and manipulation

-  Tuning materials' electronic, magnetic, catalytic and piezoelectric properties by pressure, strain, electric field, carrier doping etc. 



◆ 2012年12月至今,南方科技大学Assistant Professor

◆ 2012年6月至2012年12月,香港浸会大学,博士后

◆ 2007年8月至2012年6月,香港城市大学,研究员

◆ 2010年9月至2010年12月,德国不莱梅大学,客座科学家



◆ 2007年,获得中国科学院固体物理研究所博士学位

◆ 2002年,获得河北师范大学物理系学士学位



Google Scholar:

Research ID:

◆ Cooperative modulation of electronic structures of aromatic molecules coupled to multiple metal contacts, Weihua Wang*, Xingqiang Shi*, Shiyong Wang, Jun Liu, M. A. Van Hove, Pei Nian Liu, Rui-Qin Zhang, Nian Lin; Phys. Rev. Lett. 110, 046802 (2013) [* these authors contributed equally]

◆ Interactions between Organics and Metal Surfaces in the Intermediate Regime between Physisorption and Chemisorption, Xing-Qiang Shi, Yu Li, Michel A. Van Hove, Rui-Qin Zhang; J. Phys. Chem. C 116, 23603−23607 (2012)

◆ Adsorbate-induced reconstruction by C60 on close-packed metal surfaces: mechanism for different types of reconstruction; Xing-Qiang Shi, Michel A. Van Hove, Rui-Qin Zhang; Phys. Rev. B 85, 075421 (2012)

◆ Substrate Mediated Stabilization of MethylPhosphonic Acid on ZnO Non-Polar Surfaces; X.Q. Shi, H. Xu, M. A. Van Hove, N. H. Moreira, A. L. Rosa, Th. Frauenheim; Surf. Sci. 606, 289–292 (2012)

◆ C60 on the Pt(111) Surface: Structural Tuning of Electronic Properties; X.Q. Shi, A.B. Pang, K.L. Man, R.Q. Zhang, C. Minot, M.S. Altman and M.A. Van Hove; Phys. Rev. B 84, 235406 (2011)

◆ Single-molecule resolution of an organometallic intermediate in a surface-supported Ullmann coupling reaction; Weihua Wang, Xingqiang Shi, Shiyong Wang, Michel A. Van Hove, and Nian Lin; J. Am. Chem. Soc. Communication 133 (34), 13264–13267 (2011) [Cover Story]

◆ Thermally activated transformation of the adsorption configurations of a complex molecule on a Cu(111) surface; X.Q. Shi, W.H. Wang, S.Y. Wang, N. Lin and M.A. Van Hove; Catalysis Today 177, 50–54 (2011)

◆ Complex Molecules on a Flat Metal Surface: Large Distortions Induced by Chemisorption Can Make Physisorption Energetically More Favorable; Xingqiang Shi, Rui Qin Zhang, Christian Minot, Klaus Hermann, Michel A. Van Hove, Weihua Wang, and Nian Lin; J. Phys. Chem. Lett. 1, 2974 (2010)

◆ Manipulating localized molecular orbitals by single-atom contacts; Weihua Wang, Xingqiang Shi, Chensheng Lin, R.Q. Zhang, Christian Minot, Michel A. Van Hove, Yuning Hong, Ben Zhong Tang, Nian Lin; Phys. Rev. Lett. 105, 126801 (2010)

◆ Electron Stimulation of Internal Torsion of a Surface-Mounted Molecular Rotor; Weihua Wang, Xingqiang Shi, Mochen Jin, Christian Minot, Michel A. Van Hove, Jean-Paul Collin, and Nian Lin; ACS Nano 4, 4929–4935 (2010)

◆ Structural Analysis and Electronic Properties of Negatively Charged TCNQ: 2D Networks of (TCNQ)2Mn Assembled on Cu(100); X. Q. Shi, Chensheng Lin, C. Minot, Tzu-Chun Tseng, Steven L. Tait, Nian Lin, R. Q. Zhang, Klaus Kern, J. I. Cerdá, and M. A. Van Hove; J. Phys. Chem. C 114, 17197–17204 (2010)

◆ Significant negative differential resistance predicted in scanning tunneling spectroscopy for a C-60 monolayer on a metal surface; X.Q. Shi, W.W. Pai, X.D. Xiao, J.I. Cerdá, R.Q. Zhang, C. Minot, and M.A. Van Hove; Phys. Rev. B 80, 075403 (2009)

◆ Electron transport in self-assembled monolayers of thiolalkane: Symmetric I-V curves and Fano resonance; Shi XQ, Dai ZX, Zeng Z. Phys. Rev. B 76, 235412 (2007)

◆ Spin-polarized transport in carbon nanowires inside semiconducting carbon nanotubes; Shi XQ, Dai ZX, Zhong GH, et al. J. Phys. Chem. C 111, 10130 (2007)

◆ Ab initio electron transport study of carbon and boron-nitrogen nanowires; Shi XQ, Dai ZX, Zheng XH, et al. J. Phys. Chem. B 110, 16902 (2006)

◆ Changes of coupling between the electrodes and the molecule under external bias bring negative differential resistance; Shi XQ, Zheng XH, Dai ZX, et al. J. Phys. Chem. B 109, 3334 (2005)




◆国家自然科学基金-面上项目:利用分子与磁性电极界面的重构等原子构型增强磁电阻,批准号 114741452015-2018,主持


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