[1] |
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 |
[2] |
Yang Liang, Wang Cai-Zhuang, Lin Shi-Wei, Cao Yang.First-principles investigation of oxygen diffusion mechanism in -titanium crystals. Acta Physica Sinica, 2017, 66(11): 116601.doi:10.7498/aps.66.116601 |
[3] |
Hou Qing-Yu, Zhao Chun-Wang.A first-principle study of the effect of W-doping on physical properties of anatase TiO2. Acta Physica Sinica, 2015, 64(24): 247201.doi:10.7498/aps.64.247201 |
[4] |
Mao Fei, Hou Qing-Yu, Zhao Chun-Wang, Guo Shao-Qiang.First-principle study on the effect of high Pr doping on the optical band gap and absorption spectra of TiO2. Acta Physica Sinica, 2014, 63(5): 057103.doi:10.7498/aps.63.057103 |
[5] |
Guo Shao-Qiang, Hou Qing-Yu, Zhao Chun-Wang, Mao Fei.First principles study of the effect of high V doping on the optical band gap and absorption spectrum of ZnO. Acta Physica Sinica, 2014, 63(10): 107101.doi:10.7498/aps.63.107101 |
[6] |
Hou Qing-Yu, Wu Yun Ge Ri, Zhao Chun-Wang.Effects of the concentration of heavily oxygen vacancy of rutile TiO2 on electric conductivity performance from first principles study. Acta Physica Sinica, 2013, 62(16): 167201.doi:10.7498/aps.62.167201 |
[7] |
Li Zong-Bao, Wang Xia, Jia Li-Chao.Synergistic effects in Fe/N codoped anatase TiO2 (101) surface:a theoretical study based on density functional theory calculation. Acta Physica Sinica, 2013, 62(20): 203103.doi:10.7498/aps.62.203103 |
[8] |
Zheng Shu-Kai, Wu Guo-Hao, Liu Lei.First-principles calculations of P-doped anatase TiO2. Acta Physica Sinica, 2013, 62(4): 043102.doi:10.7498/aps.62.043102 |
[9] |
Hou Qing-Yu, Dong Hong-Ying, Ma Wen, Zhao Chun-Wang.First-principle study on the effect of high Ga doping on the optical band gap and the band-edge of optical absorption of ZnO. Acta Physica Sinica, 2013, 62(15): 157101.doi:10.7498/aps.62.157101 |
[10] |
Hou Qing-Yu, Dong Hong-Ying, Ying Chun, Ma Wen.First-principles study on the effect of high Mn doped on the band gap and absorption spectrum of ZnO. Acta Physica Sinica, 2013, 62(3): 037101.doi:10.7498/aps.62.037101 |
[11] |
Hou Qing-Yu, Ma Wen, Ying Chun.First principles study of effects of the concentration of Ga/N highly doped p-type ZnO on electric conductivity performance and red shift. Acta Physica Sinica, 2012, 61(1): 017103.doi:10.7498/aps.61.017103 |
[12] |
Hou Qing-Yu, Dong Hong-Ying, Ying Chun, Ma Wen.First-principles study on the effects of high Al doped on the band gap and absorption spectrum of ZnO. Acta Physica Sinica, 2012, 61(16): 167102.doi:10.7498/aps.61.167102 |
[13] |
Li Cong, Hou Qing-Yu, Zhang Zhen-Duo, Zhao Chun-Wang, Zhang Bing.First-principles study on the electronic structures and absorption spectra of Sm-N codoped anatase TiO2. Acta Physica Sinica, 2012, 61(16): 167103.doi:10.7498/aps.61.167103 |
[14] |
Li Cong, Hou Qing-Yu, Zhang Zhen-Duo, Zhang Bing.First-principles study on the doped concentration effect on electron lifespan and absorption spectrum of Eu-doping anatase TiO2. Acta Physica Sinica, 2012, 61(7): 077102.doi:10.7498/aps.61.077102 |
[15] |
Cheng Liang, Gan Zhang-Hua, Liu Wei, Zhao Xing-Zhong.First principles calculations of the electronic structure and optical properties of pure and (Nb, N) co-doped anatase. Acta Physica Sinica, 2012, 61(23): 237107.doi:10.7498/aps.61.237107 |
[16] |
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 |
[17] |
Hu Lin-Hua, Dai Jun, Liu Wei-Qing, Wang Kong-Jia, Dai Song-Yuan.Growth kinetics and growth process control of nanocrystalline TiO2 anatase. Acta Physica Sinica, 2009, 58(2): 1115-1119.doi:10.7498/aps.58.1115 |
[18] |
Hou Qing-Yu, Zhang Yue, Zhang Tao.First principle study on the electron life span of degenerate anatase phase TiO2 semi-conductor with high concentration of oxygen vacancies. Acta Physica Sinica, 2008, 57(5): 3155-3159.doi:10.7498/aps.57.3155 |
[19] |
Zhao Zong-Yan, Liu Qing-Ju, Zhang Jin, Zhu Zhong-Qi.First-principles study of 3d transition metal-doped anatase. Acta Physica Sinica, 2007, 56(11): 6592-6599.doi:10.7498/aps.56.6592 |
[20] |
Peng Li-Ping, Xu Ling, Yin Jian-Wu.First-principles study the optical properties of anatase TiO2 by N-doping. Acta Physica Sinica, 2007, 56(3): 1585-1589.doi:10.7498/aps.56.1585 |