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Dong Xiao. Density functional theory on reaction mechanism between p-doped LiNH2 clusters and LiH and a new hydrogen storage and desorption mechanism. Acta Physica Sinica,
2023, 72(15): 153101.
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Qi Yu-Min, Chen Heng-Li, Jin Peng, Lu Hong-Yan, Cui Chun-Xiang. First-principles study of electronic structures and optical properties of Mn and Cu doped potassium hexatitanate (K2Ti6O13). Acta Physica Sinica,
2018, 67(6): 067101.
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Pan Feng-Chun, Xu Jia-Nan, Yang Hua, Lin Xue-Ling, Chen Huan-Ming. Ferromagnetism of undoped anatase TiO2 based on the first-principles calculations. Acta Physica Sinica,
2017, 66(5): 056101.
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Yang Zhen-Qing, Bai Xiao-Hui, Shao Chang-Jin. Density functional theory studies of (TiO2)12 quantum ring and its electronic properties when doped with transition metal compounds. Acta Physica Sinica,
2015, 64(7): 077102.
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Pan Feng-Chun, Lin Xue-Ling, Chen Huan-Ming. Electronic structure and optical properties of C doped rutile TiO2: the first-principles calculations. Acta Physica Sinica,
2015, 64(22): 224218.
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2015, 64(1): 017101.
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Zhang Feng-Chun, Li Chun-Fu, Zhang Cong-Lei, Ran Zeng-Ling. Surface absorptions of H2S, HS and S on Fe(111) investigated by density functional theory. Acta Physica Sinica,
2014, 63(12): 127101.
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Liu Fang, Jiang Zhen-Yi. First-principles study on the electronic and optical properties of the (Eu,N)-codoped anatase TiO2 photocatalyst. Acta Physica Sinica,
2013, 62(19): 193103.
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Xie Xiao-Dong, Hao Yu-Ying, Zhang Ri-Guang, Wang Bao-Jun. Lithium-doped tris (8-hydroxyquinoline) aluminum studied by density functional theory. Acta Physica Sinica,
2012, 61(12): 127201.
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2012, 61(11): 117102.
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2012, 61(5): 053101.
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2012, 61(12): 127104.
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Li Rong, Luo Xiao-Ling, Liang Guo-Ming, Fu Wen-Sheng. First-principles study of influence of dopants Fe on the dehydrogenation properties of VH2. Acta Physica Sinica,
2011, 60(11): 117105.
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Hou Qing-Yu, Zhao Chun-Wang, Jin Yong-Jun, Guan Yu-Qin, Lin Lin, Li Ji-Jun. Effects of the concentration of Ga high doping on electric conductivity and red shift of ZnO from frist-principles. Acta Physica Sinica,
2010, 59(6): 4156-4161.
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Lin Feng, Zheng Fa-Wei, Ouyang Fang-Ping. A density functional theory study on water adsorption on TiO2-terminated SrTiO3（001） surface. Acta Physica Sinica,
2009, 58(13): 193-S198.
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Ma Xin-Guo, Jiang Jian-Jun, Liang Pei. Theoretical study of native point defects on anatase TiO2 (101) surface. Acta Physica Sinica,
2008, 57(5): 3120-3125.
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2007, 56(8): 4896-4900.
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2006, 55(8): 4208-4213.
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2002, 51(12): 2793-2797.
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XU SU-JUAN, MEN SHOU-QIANG, WANG BIAO, LU KUN-QUAN. STUDY OF A ELECTRORHEOLOGICAL FLUID：TiO2 COATING GRAPHITE/SILICONE OIL. Acta Physica Sinica,
2000, 49(11): 2176-2179.
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