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1 Shaobin Tang and Zexing Cao,Adsorption of nitrogen oxides on graphene and graphene oxides: insights from density functional calculations. Shaobin Tang and Zexing Cao. Journal of Chemical Physics, 2011, 134, 044710.
2 Shaobin Tang and Zexing Cao, Carbon-doped zigzag boron nitride nanoribbons with widely tunable electronic and magnetic properties: insight from density functional calculations. Shaobin Tang and Zexing Cao. Phys. Chem. Chem. Phys. 2010, 12, 2313-2320.
3. Shaobin Tang and Zexing Cao, Defect-Induced Chemisorption of Nitrogen Oxides on (10,0) Single-Walled Carbon Nanotubes: Insights from Density Functional Calculations. Shaobin Tang and Zexing Cao. Journal of Chemical Physics, 2009, 131, 114706.
4. Shaobin Tang and Zexing Cao, Density Functional Characterization of Adsorption and Decomposition of 1-Propanethiol on the Ga-Rich GaAs (001) Surface. Shaobin Tang and Zexing Cao. J. Phys. Chem. A,2009, 113, 5685-5690.
5. Shaobin Tang and Zexing Cao, Structural and electronic properties of the fully hydrogenated boron nitride sheets and nanoribbons: insight from first-principles calculations. Shaobin Tang and Zexing Cao. Chem. Phys. Lett. 2010, 488(1-3), 67-72。
6 Shaobin Tang and Zexing Cao, Theoretical study of stabilities and electronic properties of the vacancy and carbon-doping defects in zigzag boron nitride nanoribbons. Shaobin Tang and Zexing Cao. Computational Materials Science, 2010, 48(3)，648-654.
7 Shaobin Tang * and Shiyong Zhang, Structural and Electronic Properties of Hybrid Fluorographene–Graphene Nanoribbons: Insight from First-Principles Calculations, J. Phys. Chem. C2011, 115(33), 16644-16651.
8 Shaobin Tang and Zexing Cao, Electronic and magnetic properties of finite-size and open-ended zigzag carbon nanotube.Computational Materials Science, 2011,50(6), 1917-1924.
9 Jinxia Liang, Shaobin Tang, and Zexing Cao, Electronic and Optical Properties of Low-Dimensional B2CN Nanomaterials from First Principles, J. Phys. Chem. C 2011, 115(38), 18802–18809.
10 Shaobin Tang and Zexing Cao, Adsorption and Dissociation of Ammonia on Graphene Oxides: A First-Principles Study, J. Phys. Chem. C2012,116(15), 8778-8791.
11 Shaobin Tang and Shiyong Zhang, Adsorption of epoxy and hydroxyl groups on zigzag graphene nanoribbons: Insights from density functional calculations, Chemical Physics, 2012, 392(1) , 33–45.
12 Shaobin Tang and Zexing Cao, Site-dependent catalytic activity of graphene oxides towards oxidative dehydrogenation of propane,Phys. Chem. Chem. Phys., 2012, 14(48), 16558-16565.
13 Shaobin Tang,*Jianping Yu, and Liangxian Liu, Tunable doping and band gap of graphene on functionalized hexagonal boron nitride with hydrogen and fluorine, Phys. Chem. Chem. Phys., 2013, 15, 5067-5077
14 Shaobin Tang* and Shiyong Zhang, Electronic and Magnetic Properties of Hybrid Boron Nitride Nanoribbons and Sheets with 5-7 Line Defects, J. Phys. Chem. C, 2013, 117, 17309−17318
15 Shaobin Tang* and 2 Jiayi Zhu，RSC Adv. 2014，DOI: 10.1039/c4ra03910f.
16 Shaobin Tang and Xinrui Cao, Phys. Chem. Chem. Phys. 2014, DOI: 10.1039/c4cp03291h
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