| Issue Date | Title | Author(s) | Relation | scopus | WOS | Fulltext/Archive link |
| 2012 | Adsorption and Diffusion of Li on Pristine and Defective Graphene | Fan, Xiaofeng; Zheng, W. T.; Kuo, Jer-Lai | ACS Applied Materials & Interfaces 4(5), 2432−2438 | | | |
| 2012 | Band Gap Tuning of Graphene by Adsorption of Aromatic Molecules | Chang, Chung-Huai; Fan, Xiaofeng; Li, Lain-Jong; Kuo, Jer-Lai | Journal of Physical Chemistry C 116 (25), 13788–13794 | | | |
| 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 | | | |
| 2011 | DFT Study of Hydrogen Storage by Spillover on Graphene with Boron Substitution | Wu, Hongyu; Fan, Xiaofeng; Deng, Wei-Qiao; Kuo, Jer-Lai | The Journal of Physical Chemistry C 115, 9241-9249 | | | |
| 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 | | | |
| 2010 | Local structure relaxation, quantum trap depression, and valence charge polarization induced by the shorter-and-stronger bonds between undercoordinated atoms in gold nanostructures | Zhang, Xi; Kuo, Jer-lai; Gu, Mingxia; Fan, Xiaofeng; Bai, Ping; Song, Qing-Gong; Sun, Chang Q. | Nanoscale 2(3), 412-417 | | | |
| 2011 | Memetic Figure Selection for Cluster Expansion in Binary Alloy Systems | Zhu, Zexuan; Ji, Zhen; Fan, Xiaofeng; Kuo, Jer-Lai | IEEE conference on computational intelligence (IEEE Symposium Series on Computational Intelligence 2011 1-6 | | | |
| 2013 | Oxygen reduction reaction on active sites of heteroatom-doped graphene | Fan, Xiaofeng; Zheng, W. T.; Kuo, Jer-Lai | RSC Advances 3, 5498-5505 | | | |
| 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 | | | |
