(1) Lili Lin, Wu Zhou, Rui Gao, Siyu Yao, Xiao Zhang, Wenqian Xu, Shijian Zheng, Zheng Jiang, Yong Wang Li, Chuan Shi*, Xiao-Dong Wen*, Ding Ma*, Low temperature H2 production from methanol/H2O over atomically dispersed Pt/α-MoC catalysts. Nature, 2017, 544, 80-83.
(2) Siyu Yao, Xiao Zhang, Wu Zhou, Rui Gao, Wenqian Xu, Yifan Ye, Lili Lin, Xiaodong Wen, Ping Liu, Bingbing Chen, Ethan Crumlin, Jinghua Guo, Zhijun Zuo, Weizhen Li, Jinglin Xie, Li Lu, Christopher J. Kiely, Lin Gu, Chuan Shi, José A. Rodriguez, Ding Ma, Atomic-layered Au clusters on a-MoC as catalysts for the low-temperature water-gas shift reaction, Science, 2017, 357, 389–393.
(3) Peng Zhai, Cong Xu, Rui Gao, Xi Liu, Mengzhu Li, Weizhen Li, Xinpu Fu, Chunjiang Jia, Jinglin Xie, Ming Zhao, Xiaoping Wang, Yong-Wang Li, Qianwen Zhang*, Xiao-Dong Wen*, Ding Ma*, Highly Tunable Selectivity for Syngas-Derived Alkenes over Zinc and Sodium-Modulated Fe5C2 Catalyst, Angew. Chem. Int. Ed. 2016, 55, 9902–9907.
(4) When Density Functional Approximations Meet Iron Oxides.Yu Meng, Xing-Wu Liu, Chun-Fang Huo, Wen-Ping Guo, Dong-Bo Cao, Qing Peng, Albert Dearden, Xavier Gonze, Yong Yang, Jianguo Wang, Haijun Jiao, Yongwang Li*, and Xiao-Dong Wen*, J. Chem. Theory Comput., 2016, 12, 5132–5144.
(5) Oxide-Modified Nickel Photocatalyst for the Production of Hydrocarbons in Visible Light. Yufei Zhao, Bo Zhao, Jinjia Liu, Guangbo Chen, Rui Gao, Siyu Yao, Mengzhu Li, Qinghua Zhang, Lin Gu, Jinglin Xie, Xiaodong Wen*, Li-Zhu Wu, Chen-Ho Tung, Ding Ma*, Tierui Zhang*, Angew. Chem. Int. Ed. 2016, 55, 4215
(6) Wen, X.-D.; Martin, R. L.; Henderson, T. M.; Scuseria, G. E. Density Functional Theory Studies of the Electronic Structure of Solid State Actinide Oxides. Chemical Reviews, 2013, 2012, 113, 1063-1096.
(7) Wen, X.-D.; Yang, T.; Hoffmann, R.; Ashcroft, N. W.; Martin, R. L.; Rudin, S. P.; Zhu, J.-X. Graphane Nanotubes. ACS nano, 2012, 6(8), 7142-7150.
(8) Wen, X.-D.; Hoffmann, R.; Ashcroft, N. W. Two-Dimensional CdSe nanosheets and their interaction with stabilizing ligands. Advanced Materials, 2013, 25, 261-266.
(9) Wen, X.-D.; Rudin, S. P.; Batista, E. R.; Scuseria, G. E.; Martin, R. L. Rotational Rehybridization and the High Temperature Phase of UC2. Inorganic Chemistry, 2012, 51, 12650-12659.
(10) Wen, X.-D.; Rudin, S. P.; Batista, E. R.; Scuseria, G. E.; Martin, R. L. Effect of SOC on actinide dioxides series, AnO2 (An=Th, Pa, U, Np, Pu and Am): A hybrid functional study. J. Chemical Physics, 2012, 137, 154707.
(11) Wen, X.-D.; Hand, L.; Labet, V.; Yang, T.; Hoffmann, R.; Ashcroft, N. W.; Oganov, A. R.; Lyakhov, A. O. Graphane sheets and crystals under high pressure. Proceedings of the National Academy of Sciences of the United States of America, 2011, 108, 6833-6837.
(12) Wen, X.-D.; Ashcroft, N. W.; Hoffmann, R. Benzene under high pressure: a story of molecular crystals transforming to saturated networks, with a possible intermediate metallic phase. Journal of the American Chemical Society, 2011, 133, 9023-9025.
(13) Wen, X.-D.; Cahill, T. J.; Hoffmann, R. Exploring Group 14 Structures: 1D to 2D to 3D. Chemistry: A European Journal. 2010, 16, 6555-6566.
(14) Wen, X.-D.; Cahill, T. J.; Hoffmann, R. Element Lines: Bonding in the Ternary Gold Polyphosphides: Au2MP2 with M=Pb, Tl or Hg, Journal of the American Chemical Society, 2009, 131, 2199–2207.
(15) Wen, X.-D.; Cahill, T. J.; Hoffmann, R.; Miura, A. Tuning of Metal-Metal Bonding by Counterion Size in Hypothetical AETiO2 Compounds, Journal of the American Chemical Society, 2009, 131, 14632-14633.
(16) Wen, X.-D.; Cao, Z.; Li, Y.-W.; Wang, J.-G.; Jiao, H. Structure and Energy of Mo27SxCy Cluster: A density functional theory study. Journal of Physical Chemistry B, 2006, 110, 23860-23869.
(17) Wen, X.-D.; Zeng, T.; Li, Y.-W.; Wang, J. -G.; Jiao, H. Surface Structure and Stability of MoSx Model Clusters. Journal of Physical Chemistry B, 2005, 109, 18491-18499.
(18) Rogachev, A. Y.; Wen, X.-D.; Hoffmann, R. Jaibreaking Benzene Dimers. Journal of the American Chemical Society, 2012, 134, 8062-8067.
(19) Zurek, E.; Wen, X.-D.; Edwards, P. P.; Ashcroft, N. W.; Hoffmann, R. (Barely) Solid Li(NH3)4: The electronics of an expanded metal. Journal of the American Chemical Society, 2011, 133, 3535-3547.
(20) Wang, Z.; Wen, X.-D.; Hoffmann, R.; Son, J. S.; Li, R.; Fang, C.C.; Smilgies, D. M.; Hyeon, T. Reconstructing a solid-solid phase transformation pathway in CdSe nanosheets with associated soft ligands. Proceedings of the National Academy of Sciences of the United States of America, 2010, 107, 17119-17124.