- Zhang, Xiuyun,Wang, Jinlan,Gao, Yi,Zeng, Xiao Cheng,Ab Initio Study of Structural and Magnetic Properties of TMn(ferrocene)(n+1) (TM = Sc, Ti, V, Mn) Sandwich Clusters and Nanowires (n = infinity).ACS NANO,2009,3(3):537-545.
- Zhang Xiuyun,丁峰.The magic-sized carbon clusters on the transition metal surfaces with a four-fold symmetry.CARBON,2020,156282-286.
- Zhang Xiuyun,席斌,刘拥军,姚晓静,武晓君.Antiferromagnetic Semimetal in Ti-Intercalated Borophene Heterobilayer.JOURNAL OF PHYSICAL CHEMISTRY C,2020,124(8)4709-4716.
- Zhang Xiuyun,孙怡,高伟成,林音,赵新丽,姚晓静,刘拥军,叶晓山.Sizable bandgaps of graphene in 3d transition metal intercalated defective graphene/WSe2 heterostructures.RSC ADVANCES,2019,9(32)18157-18164.
- Zhang Xiuyun,董际臣,龚晓曙,丁峰.The formation and stability of junctions in single-wall carbon nanotubes.NANOTECHNOLOGY,2018,29(48)
- Zhang Xiuyun,孙怡,马亮,赵新丽,姚晓静.Modulating the electronic and magnetic properties of bi layer borophene via transition metal atoms intercalation: from metal to half metal and semiconductor.NANOTECHNOLOGY,2018,29(30)
- Zhang Xiuyun,包祖健,叶晓山,徐纹娴,王强,刘拥军.Half-metallic properties of 3d transition metal atom-intercalated graphene@MS2 (M = W, Mo) hybrid structures.NANOSCALE,2017,9(31)11231-11238.
- Zhang Xiuyun,徐文娴,戴建鹏,刘拥军.Role of embedded 3d transition metal atoms on the electronic and magnetic properties of defective bilayer graphene.CARBON,2017,118376-383.
- Zhang Xiuyun,包祖健,徐文娴,刘莉丽,刘拥军.Theoretical exploration on the electronic and magnetic properties of (FeCp)(n) - (n=1, 2) ligand-functionalized graphene.RSC ADVANCES,2017,7(29)18068-18074.
- Zhang Xiuyun,赵新丽,刘拥军.Ab Initio Study of Structural, Electronic, and Magnetic Properties of Transition Metal Atoms Intercalated AA-Stacked Bilayer Graphene.JOURNAL OF PHYSICAL CHEMISTRY C,2016,120(39)22710-22717.
