• 117.    Bo Fu, Q. W. Shi*, Qunxiang Li*, and Jinlong Yang, In-gap localized states induced by adsorbates on silicene, Phys. Rev. B 93, 085430 (2016).
• 116.    Jing Huang*, Rong Xie, Weiyi Wang, Qunxiang Li* and Jinlong Yang, Coherent transport through spin-crossover magnet Fe2 complexes, Nanoscale 9, 609 (2016).
• 115.    Jiajun Wang, Jing Huang*, Jie Meng, Qunxiang Li*, and Jinlong, Double-hole codoped huge-gap semiconductor ZrO2 for visible-light photocatalysis, Phys. Chem. Chem. Phys. 18, 17517(2016).
• 114.    Jiajun Wang*, Jie Meng, Qunxiang Li*, and Jinlong Yang, Single-Layer Cadmium Chalcogenides: A Promising Visible-light Driven Photocatalyst for Water Splitting, Phys. Chem. Chem. Phys. 18, 17029 (2016).
• 113.    Jiajun Wang*, Shaohua Chen, Qunxiang Li* and Jinlong Yang, Anatase TiO2 Codoping with Sulfur and Acceptor IIB Metals for Water Splitting, Int. J. Hydrogen Energy. 41, 13050 (2016).
• 112.    Jing Huang, Qunxiang Li* and Jinlong Yang*, Transport properties through single molecules, Sci. China B: Chem. 46, 12 (2016). [Invited mini review, in Chinese]
• 111.    Lijing Tian, Zhi Yang*, Q. W. Shi*, Qunxiang Li, and Xiaoping Wang, Coupling effect on the Berry Phase, AIP Advances, 6, 115103 (2016).
• 110.    Song Wang (e), Jing Huang (e), Congli Gao, Fei Jin, Qunxiang Li, Suyuan Xie, and Shangfeng Yang*, Singly Bonded Monoadduct Rather than Methanofullerene: Manipulating the Addition Pattern of Trimetallic Nitride Clusterfullerene via One Endohedral Metal Atom Substitution, Chem. Eur. J. 22, 8309 (2016).
• 109.    Chao Gao, Qiangqiang Meng, Kun Zhao, Huajie Yin, Dawei Wang, Jun Guo, Shenlong Zhao, Lin Chang, Meng He, Qunxiang Li, Huijun Zhao, Xingjiu Huang*, Yan Gao*, and Zhiyong Tang*, Co3O4 Hexagonal Platelets with Controllable Facets Enabling High Efficient Visible-Light Photocatalytic Reduction of CO2, Adv. Mater. 28, 6485 (2016).
• 108.    Tao Wei, Song Wang, Xing Lu, Yuanzhi Tan, Jing Huang, Fupin Liu, Qunxiang Li, Suyuan Xie,and Shangfeng Yang,Entrapping a Group-VB Transition Metal, Vanadium, within an Endohedral Metallofullerene: VxSc3-xN@Ih-C80 (x = 1,2), J. Am. Chem. Soc. 138, 207 (2016).
• 107.    Ping Cui, Qiang Zhang, Hongbin Zhu, Xiaoxia Li, Weiyi Wang, Qunxiang Li, Changgan Zeng*, and Zhenyu Zhang, Carbon Tetragons as Definitive Spin Switches in Narrow Zigzag Graphene Nanoribbons, Phys. Rev. Lett. 116, 026802 (2016).