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Dong Xiao.Density functional theory on reaction mechanism between p-doped LiNH2clusters and LiH and a new hydrogen storage and desorption mechanism. Acta Physica Sinica, 2023, 72(15): 153101.doi:10.7498/aps.72.20230374 |
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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.doi:10.7498/aps.67.20172356 |
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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.doi:10.7498/aps.66.056101 |
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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.doi:10.7498/aps.64.077102 |
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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.doi:10.7498/aps.64.224218 |
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Wang Qing-Bao, Zhang Zhong, Xu Xi-Jin, Lü Ying-Bao, Zhang Qin.Theoretical and experimental studies on N, Fe, La co-doped anatase TiO2 band adjustment. Acta Physica Sinica, 2015, 64(1): 017101.doi:10.7498/aps.64.017101 |
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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.doi:10.7498/aps.63.127101 |
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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.doi:10.7498/aps.62.193103 |
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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.doi:10.7498/aps.61.127201 |
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Zhang Zhen-Duo, Hou Qing-Yu, Li Cong, Zhao Chun-Wang.First-principles study of the electronic structure and absorption spectrum of heavily Nd-doped anatase TiO2. Acta Physica Sinica, 2012, 61(11): 117102.doi:10.7498/aps.61.117102 |
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Liang Pei, Wang Le, Xiong Si-Yu, Dong Qian-Min, Li Xiao-Yan.Research on the photocatalysis synergistic effect of Mo-X(B, C, N, O, F) codoped TiO2. Acta Physica Sinica, 2012, 61(5): 053101.doi:10.7498/aps.61.053101 |
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Peng Li-Ping, Xia Zheng-Cai, Yang Chang-Quan.First-principles calculation of matal and nonmetal codoped anantase TiO2. Acta Physica Sinica, 2012, 61(12): 127104.doi:10.7498/aps.61.127104 |
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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.doi:10.7498/aps.60.117105 |
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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.doi:10.7498/aps.59.4156 |
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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.doi:10.7498/aps.58.193 |
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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.doi:10.7498/aps.57.3120 |
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Hou Xing-Gang, Liu An-Dong.First principles calculations on anatase implanted by V+. Acta Physica Sinica, 2007, 56(8): 4896-4900.doi:10.7498/aps.56.4896 |
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Ma Xin-Guo, Tang Chao-Qun, Huang Jin-Qiu, Hu Lian-Feng, Xue Xia, Zhou Wen-Bin.First-principle calculations on the geometry and relaxation structure of anatase TiO2(101) surface. Acta Physica Sinica, 2006, 55(8): 4208-4213.doi:10.7498/aps.55.4208 |
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Song Gong-Bao, Liu Fu-Sheng, Peng Tong-Jiang, Liang Jing-Kui, Rao Guang-Hui.Influence of metal ions on the morphology and phase composition of titanium dioxide in TiO-2 muscovite nanocomposites*. Acta Physica Sinica, 2002, 51(12): 2793-2797.doi:10.7498/aps.51.2793 |
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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.doi:10.7498/aps.49.2176 |
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