Publications
(1) Xinguo Ma, Bin Lu, Di Li, Rui Shi, Chenshi Pan, Yongfa Zhu*. Origin of Photocatalytic Activation of Silver Orthophosphate (Ag3PO4) from first- principles. J. Phys. Chem. C, 2011, 115(11): 4680～4687.
(2) Xinguo Ma, Ying Wu, Yanhui Lu, Jing Xu, Yongfa Zhu*. Effect of Compensated Codoping on the Photoelectrochemical Properties of Anatase TiO2 Photocatalyst. J. Phys. Chem. C, 2011, under review.
(3) Xinguo Ma, Ling Miao, Shaowei Bie, and Jianjun Jiang*. Synergistic Effect of V/N-Codoped Anatase TiO2 Photocatalysts. Solid State Communications. 2010, 150: 689～692.
(4) XinGuo Ma, JianJun Jiang*, Pei Liang, ZhongYou Wang and ChuanKun Zhang, Electronic structure and magnetism of Fe3Al1-xSix alloys. Intermetallics 2010, 18: 2399～2403.
(5) XinGuo Ma, JianJun Jiang*, PeiLiang, Juan Wang, Qiang Ma and QuanKun Zhang, Structural stability and magnetism of γ'-Fe4N and CoFe3N Compounds. Journal of Alloys and Compounds, 2009, 480: 475～480.
(6) XinGuo Ma, P Liang, L Xu, Q K Zhang, L Miao, J J Jiang*. Theoretical Study of Pressure-induced Phase Transition and Elastic Properties of TiO2 Polymorphs. phys. status solidi (b), 2009, 246, 9: 2132～2139.
(7) XinGuo Ma，ChaoQun Tang*, Lin Xu. Electronic structures of S-doped anatase and rutile TiO2, J. Theor. Comput. Chem. (JTCC), 2007, 6: 23～32.
(8) XinGuo Ma, ChaoQun Tang*. Effect of relaxation on the surface energetics and structure of anatase TiO2(101) surface. Surf. Rev. Lett. (SRL) 2006,13:825～831.
(9) Xinguo Ma, Jianjun Jiang *, Pei Liang, Juan Wang. An accurate theoretical study on intrinsic defect energetics in rutile TiO2. Trans. Nonferrous Met. Soc. China, 2007, 17: s50～S54
(10) Xin-guo Ma, Jian-jun Jiang*, Pei Liang. Theory study of native point defects on anatase TiO2(101) surface. Acta Phys. Sin., 2008, 57: 3120～3125.
(11) Xin-guo Ma, Chao-qun Tang*, Jin-qiu Huang, Lian-feng Hu, Xia Xue, Wen-bing Zhou. First-principle calculations on the geometry and relaxation structure of anatase TiO2( 101) surface. Acta Phys. Sin., 2006, 55: 4208～4214. 