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Gao Xu-Dong, Yang De-Cao, Wei Wen-Jing, Li Gong-Ping.Simulation study of electron beam irradiation damage to ZnO and TiO2. Acta Physica Sinica, 2021, 70(23): 234101.doi:10.7498/aps.70.20211223 |
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Wang Chun-Jie, Wang Yue, Gao Chun-Xiao.Grain boundary electrical characteristics for rutile TiO2under pressure. Acta Physica Sinica, 2019, 68(20): 206401.doi:10.7498/aps.68.20190630 |
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Liu Ru-Lin, Fang Liang, Hao Yue, Chi Ya-Qing.Density functional theory calculation of diffusion mechanism of intrinsic defects in rutile TiO2. Acta Physica Sinica, 2018, 67(17): 176101.doi:10.7498/aps.67.20180818 |
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Lin Qiao-Lu, Li Gong-Ping, Xu Nan-Nan, Liu Huan, Wang Cang-Long.A first-principles study on magnetic properties of the intrinsic defects in rutile TiO2. Acta Physica Sinica, 2017, 66(3): 037101.doi:10.7498/aps.66.037101 |
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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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Yang Zhen-Hui, Wang Ju, Liu Yong, Wang Kang-Kai, Su Ting, Guo Chun-Lin, Song Chen-Lu, Han Gao-Rong.Investigation on the electrical properties of anatase and rutile Nb-doped TiO2 by GGA(+U). Acta Physica Sinica, 2014, 63(15): 157101.doi:10.7498/aps.63.157101 |
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Wang Tao, Chen Jian-Feng, Le Yuan.First-principles investigation of iodine doped rutile TiO2(110) surface. Acta Physica Sinica, 2014, 63(20): 207302.doi:10.7498/aps.63.207302 |
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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 |
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Hou Qing-Yu, Wu Yun, Zhao Chun-Wang.Effect of concentration of heavy oxygen vacancy in rutile and anatase (TiO2) on electric conductivity performance studied by simulation and calculation. Acta Physica Sinica, 2013, 62(23): 237101.doi:10.7498/aps.62.237101 |
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Zhang Rui-Shuo, Liu Yong, Teng Fan, Song Chen-Lu, Han Gao-Rong.Electronic and optical properties of anatase and rutile TiO2:Nb. Acta Physica Sinica, 2012, 61(1): 017101.doi:10.7498/aps.61.017101 |
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Peng Li-Ping, Xia Zheng-Cai, Yin Jian-Wu.First-principles calculation of rutile and anatase TiO2 intrinsic defect. Acta Physica Sinica, 2012, 61(3): 037103.doi:10.7498/aps.61.037103 |
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Zhang Xiao-Chao, Zhao Li-Jun, Fan Cai-Mei, Liang Zhen-Hai, Han Pei-De.Electronic structures and optical properties of transition metals (Fe, Co, Ni, Zn) doped rutile TiO2. Acta Physica Sinica, 2012, 61(7): 077101.doi:10.7498/aps.61.077101 |
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Su Rui, He Jie, Chen Jia-Sheng, Guo Ying-Jie.First principles study of the electronic structure and photoelectric properties of rutile vanadium dioxcide. Acta Physica Sinica, 2011, 60(10): 107101.doi:10.7498/aps.60.107101 |
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Zhang Zheng-Jie, Meng Da-Wei, Wu Xiu-Ling, Zheng Jian-Ping, Fan Xiao-Yu, Liu Wei-Ping, Huang Li-Wu, He Kai-Hua.The electronic structure and infrared spectroscopy of Al-H and Fe-H codoped rutile-type TiO2. Acta Physica Sinica, 2011, 60(3): 037802.doi:10.7498/aps.60.037802 |
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Wang Xun, Liu Yan-Xia, Wang Yue-Hua, Ma Zhen-Ning, Shan Ya-Na, Wang Jing-Yu.A method of fitting shell model interatomic potential for H2 molecule from electronic structure data. Acta Physica Sinica, 2009, 58(13): 35-S39.doi:10.7498/aps.58.35 |
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Wu Hong-Li, Zhao Xin-Qing, Gong Sheng-Kai.Effect of Nb doping on electronic structure of TiO2/NiTi interface: A first-principle study. Acta Physica Sinica, 2008, 57(12): 7794-7799.doi:10.7498/aps.57.7794 |
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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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Xiao Bing, Feng Jing, Chen Jing-Chao, Yan Ji-Kang, Gan Guo-You.Study of rutile (110) surface STM image via ab initio simulation. Acta Physica Sinica, 2008, 57(6): 3769-3774.doi:10.7498/aps.57.3769 |
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JIN QING-HUA, FENG SHAO-SIN, GUO ZHEN-YA, LI BAO-HUI, DING DA-TONG.CALCULATIONS OF THE FORMATION ENERGIES OF POINT DEFECTS IN ALKALINE EARTH FLUORIDES. Acta Physica Sinica, 1999, 48(7): 1261-1268.doi:10.7498/aps.48.1261 |
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ZHANG HONG-FEI, WANG LIANG-ZHU, ZHANG LI-DE, WU XI-JUN.THE DIELECTRIC BEHAVIOR IN NANO-STRUCTURED MATERIALS TiO2(RUTILE). Acta Physica Sinica, 1996, 45(6): 1046-1050.doi:10.7498/aps.45.1046 |
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