1．Robust surface state of intrinsic topological insulator Bi2Te2Se thin films: a first-principles study, Xian-Qi Dai, Bao Zhao, Jian-Hua Zhao, Yan-Hui Li, Ya-Nan Tang and Ning Li, J. Phys.: Condens. Matter 24, (2012) 035502 (6pp)
2．Jianhua Zhao, Xianqi Dai, Yawei Dai, Bao Zhao, and Maohai Xie, Lateral in-plane coupling between graphene nanoribbons: A density functional study, J. Appl. Phys. 111, (2012) 043714;(6pp)
3．J.H. Zhao, X.Q. Dai, B. Zhao, Y.W. Dai and X. Zhao, The role of size in spin properties of zigzag graphene nanoribbon, Eur. Phys. J. B85, (2012) 220(6pp)
4．Yanan Tang, Zongxian Yang and Xianqi Dai, A theoretical simulation on the catalytic oxidation of CO on Pt/grapheme, Phys. Chem. Chem. Phys. 2012, Advance Article, DOI: 10.1039/C2CP41441D (7pp)
5．Ya-Nan Tang, Ya-Wei Dai , Bao Zhao Xian-Qi Dai and Zong-Xian Yang, Metal adatoms induced stability, electronic and magnetic behaviors on grapheme, INTEGRATED FERROELECTRICS 129，(2011) 102-110
6．Xian Qi Dai , Jian Hua Zhao , Mao Hai Xie , Ya Nan Tang , Yan Hui Li and Bao Zhao，First-principle study of magnetism induced by vacancies in graphene，Eur. Phys. J. B 80, (2011) 343–349 (SCI)
7．DAI Xian-Qi, TANG Ya-Nan, DAI Ya-Wei, LI Yan-Hui, ZHAO Jian-Hua , ZHAO Bao and YANG Zong-Xian, The structure of Pt clusters on graphene doped with Nitrogen, Boron, and Silicon: A theoretical study, Chinese Physics B 20(5)，（2011）056801(1-7) (SCI)
8．Xian-Qi Dai, Yan-Hui Li, Jian-Hua Zhao, Bao Zhao, First-principles study of Ge adsorbed on Perfect and defect grapheme, Physica E , 2011, 43, 1461-1464 （SCI）
9．Yanan Tang, Zongxian Yang, Xianqi Dai, Noble metals induced magnetic properties of grapheme, Journal of Magnetism and Magnetic Materials 323 (2011) 2441–2447
10．Yanan Tang, Zongxian Yang, and Xianqi Dai, Trapping of metal atoms in the defects on grapheme, J. Chem. Phys. 135, (2011) 224704(p7)
11．Zongxian Yang, Xiaohu Yu, Zhansheng Lu, and Xianqi Dai, The direct oxidation of CO on the highly active Pt-skin Pt3Ni(111) surface: A first principles study, Advanced Materials Research 213 (2011) 147-151 (SCI)
12．Jianli Wang, Xiaoshan Wu, Xianqi Dai, and Dongmei Bai, First-principles study of Sr adsorption on InN(0001), Eur. Physics. J. B73, (2010)75-78
13．Jianli Wang, X. S. Wu, J. M. Dong, Dongmei Bai, and Xianqi Dai, The absorption of Be on the surface of (0001)InN, Appl. Surf. Sci.255, (2008) 2533-2537
14．Jianli Wang , Xiaoshan Wu , XianqiDai , Dongmei Bai, Atomic structure for Mg on InN(0001) surface, Physics Letters A 373 (2009) 1796–1799
15．Xian-Qi Dai, Hui-Juan Yan ，Jian-Li Wang, Ya-Ming Liu, Zongxian Yang , and M. H. Xie, The Effect of Cu on O Adsorption on ZnO(0001) Surface: A first-principles Study, J. Phys.: Condens. Matter 20, (2008) 095002（1-4）
16．Xian-Qi Dai, Jian-li Wang, Hui-juan Yan, Xin-hua Wu, M.H. Xie, Structural properties of oxygen on InN(0001) surface
Surface Science 601, ( 2007) 2161-2165
17．Xian-Qi Dai, Feng-Zhen Huang, and Jun-Jie Shi, Localized excitons in self-formed GaN/AlxGa1-xN quantum dots, Moden Phys. Lett. B19, 589(2005)
18．Xian-Qi Dai, Wei-Wei Ju, M. H. Xie, and S.Y. Tong, Ab initio study of indium quantum wire formation on flat and stepped Si(100) surfaces, Surface Review and Letters 12（4）,483-487 (2005)
19．Y. G. Cao, S. H. Xu, W. Lu, X. Q. Dai, Y. F. Chan, N. Wang, Y. Liu, H. S. Wu, M. H. Xie, and S. Y. Tong, In situ revelation of a zinc-blende InN wetting layer during Stranski-Krastanov growth on GaN(0001) by molecular-beam epitaxy, Phys. Rev. B71, 155322(2005))
20． Y. Huang, X.D. Chen, S. Fung, C.D. Beling, C. C. Ling, X. Q. Dai, and M. H. Xie, Current transport property of N-GaN/n-6H-SiC heterojuction: Influence of interface states, Appl. Phys. Lett. 86, 122102(2005)
联系电话:13503805825
