| Issue Date | Title | Author(s) | Relation | scopus | WOS | Fulltext/Archive link |
| 2009 | A Comprehensive Theoretical Study of Thermal Stability and Electronic Properties of Wurtzite and Zincblene ZnOxS1-x | Fan, Xiao-feng; Lu, Y. M.; Shen, Zexiang; Kuo, Jer-Lai | NEW JOURNAL OF PHYSICS 11, 093008 | | | |
| 2009 | A First-Principle Study on The structure, Stability And Hardness of Cubic BC2N | Fan, Xiao-feng; Wu, Hongyu; Shen, Zexiang; Kuo, Jer-Lai | DIAMOND AND RELATED MATERIALS 18(10), 1278-1282 | | | |
| 2018 | A library of atomically thin metal chalcogenides | Zhou, Jiadong; Lin, Junhao; Huang, Xiangwei; Zhou, Yao; Chen, Yu; Xia, Juan; Wang, Hong; Xie, Yu; Yu, Huimei; Lei, Jincheng; Wu, Di; Liu, Fucai; Fu, Qundong; Zeng, Qingsheng; Hsu, Chuang-Han; Yang, Changli; Lu, Li; Yu, Ting; Shen, Zexiang; Lin, Hsin; Yakobson, Boris I.; Liu, Qian; Suenaga, Kazu; Liu, Guangtong; Liu, Zheng | Nature 556, 355-359 | | | |
| 2012 | Band gap opening of graphene by doping small boron nitride domains | Fan, Xiao-Feng; Zheng, W. T.; Shen, Zexiang; Liu, Ai-Qun; Kuo, Jer-Lai | Nanoscale 4(6), 2157-2165 | | | |
| 2009 | Density functional theory study of finite carbon chains | Fan, Xiaofeng; Liu, Lei; Lin, J. Y.; Shen, Zexiang; Kuo, Jer-Lai | ACS Nano 3(11), 3788-3794 | | | |
| 2010 | Functionalizing Single- and Multi-layer Graphene with Br and Br2 | Fan, Xiaofeng; Liu, Lei; Kuo, Jer-Lai; Shen, Zexiang | Journal of Physical Chemistry C 114(35),14939-14945 | | | |
| 2013 | Molecular adsorption induces the transformation of rhombohedral- to Bernal-stacking order in trilayer graphene | Zhang, Wenjing; Yan, Jiaxu; Chen, Chang-Hsiao; Lei, Liu; Kuo, Jer-Lai; Shen, Zexiang; Li, Lain-Jong | Nature Communications 4, 2074 | | | |
| 2010 | Predicting the hydrogen bond ordered structures of ice Ih, II, III, VI and ice VII: DFT methods with localized based set | Fan, Xiaofeng; Bing, Dan; Zhang, Jingyun; Shen, Zexiang; Kuo, Jer-Lai | COMPUTATIONAL MATERIALS SCIENCE 49(4), S170-S175 | | | |
| 2010 | Theoretical Study on Structural Stability of Alloy Cages: A Case of Silicon-Doped Heterofullerenes | Fan, Xiaofeng; Zhu, Zexuan; Liu, Lei; Shen, Zexiang; Kuo, Jer-Lai | COMMUNICATIONS IN COMPUTATIONAL PHYSICS 8(2), 289-303 | | | |
