90. Xirui Zhang, Zhaoshun Meng, Dewei Rao, Yunhui Wang, Qi Shi, Yuzhen Liu, Haiping Wu, *Hongyang Liu, *Kaiming Deng, and *Ruifeng Lu, “Efficient Band Structure Tuning, Charge Separation, Visible-Light Response in ZrS2-Based van der Waals Heterostructures”, Energy & Environmental Science 9, 841 (2016) Inside Front Cover (内封面).

89. Jinping Yao, Shicheng Jiang, Wei Chu, Bin Zeng, *Chengyin Wu, *Ruifeng Lu, Ziting Li, Hongqiang Xie, Guihua Li, Chao Yu, Zhanshan Wang, Hongbing Jiang, Qihuang Gong,and *Ya Cheng, “Population Redistribution among Multiple Electronic States of Molecular Nitrogen Ions in Strong Laser Fields”, Phys. Rev. Lett. 116, 143007 (2016).

88. Chao Yu, Xirui Zhang, Shicheng Jiang, Xu Cao, Guanglu Yuan, Tong Wu, Lihua Bai, and *Ruifeng Lu, “Dependence of high harmonic generation on dipole moment in SiO2 crystals”, Phys. Rev. A 94, 013846 (2016) Selected as Kaleidoscope (万花筒).

87. Tao Wu, Lei Sun,Qi Shi, Kaiming Deng, *Weiqiao Deng, and *Ruifeng Lu, “Carrier mobility in double-helix DNA and RNA: A quantum chemistry study with Marcus-Hush theory”, The Journal of Chemical Physics 145, 235101 (2016).

86. Chao Yu, Shicheng Jiang, Xu Cao, Guanglu Yuan, Tong Wu, Lihua Bai, and *Ruifeng Lu, “Interference effects on harmonic generation from H2+ in nonhomogeneous laser field”, Optics Express 24, 19736 (2016).

85. Zhaoshun Meng, Xirui Zhang, Yadong Zhang, Haiqi Gao, Yunhui Wang, Qi Shi, *Dewei Rao, *Yuzhen Liu, Kaiming Deng, and *Ruifeng Lu, “Graphdiyne as a high-efficiency membrane for separating oxygen from harmful gases: A first-principles study”, ACS Applied Materials & Interfaces 8, 28166 (2016).

84. Dewei Rao, Yunhui Wang, Lingyan Zhang, Shanshan Yao, Xinye Qian, Xiaoming Xi, Kesong Xiao, Kaiming Deng, *Xiangqian Shen, and *Ruifeng Lu, “Mechanism of polysulfide immobilization on defective graphene sheets with N-substitution”, Carbon 110, 207 (2016).

83. *Junling Song, Xirui Zhang, and *Ruifeng Lu, “Facile synthesis of tin phosphite nanosheets via exfoliated bulk crystals: Electronic structure and piezoelectric property”, Journal of Colloid and Interface Science 475, 192 (2016).

82. Xuebiao Zhang, *Dongguo Chen, Kaiming Deng, and *Ruifeng Lu, “Band Engineering of Wurtzite-Derived Semiconductors Cu2ZnSiS4 and Cu2ZnSiSe4”, J. Alloy Compd. 656, 196 (2016).

81. Yunpeng Zou, Tingting Li, Dewei Rao, Xiaomin Lei, Qin Li, Guilin Zhu, Ruifeng Lu, and *Heyou Han, “Synthesis of Tellurium Fusiform Nanoarchitectures by Controlled Living Nanowire Modification”, The Journal of Physical Chemistry C 120, 12305 (2016).

80. Haiping Wu, Yuzhen Liu, Erjun Kan, Yanming Ma, Wenjie Xu, Jie Li, Meichen Yan, Ruifeng Lu, Jianfeng Wei, and Yan Qian, “The diverse electronic properties of C4N3 monolayer under biaxial compressive strain: a theoretical study”, Journal of Physical D: Applied Physics 49, 295301 (2016).

79. Yan Qian, Haiping Wu, Erjun Kan, Ruifeng Lu, and Kaiming Deng, “Half-metallicity obtained in silicone nanosheet by nitrogenation engineering”, Journal of Applied Physics 120, 234303 (2016).

78. Yan Qian, Haiping Wu, Erjun Kan, Yanming Ma, Ruifeng Lu, and Kaiming Deng, “Theoretical realization of half-metallicity in two-dimensional monolayered molybdenum dinitride by Mo vacancy tuning”, Phys. Lett. A 380, 2669 (2016).

77. Haiping Wu, Yan Qian, Ruifeng Lu, and Weishi Tan, “A theoretical study on the electronic property of a new two-dimensional material molybdenum dinitride”, Phys. Lett. A 380, 768 (2016).

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