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Miao Rui-Xia, Xie Miao-Chun, Cheng Kai, Li Tian-Tian, Yang Xiao-Feng, Wang Ye-Fei, Zhang De-Dong.Effect of Te doping on oxidation resistance and electronic structure of two-dimensional InSe. Acta Physica Sinica, 2023, 72(12): 123101.doi:10.7498/aps.72.20230004 |
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Yang Hai-Lin, Chen Qi-Li, Gu Xing, Lin Ning.First-principles calculations of O-atom diffusion on fluorinated graphene. Acta Physica Sinica, 2023, 72(1): 016801.doi:10.7498/aps.72.20221630 |
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Yan Xiao-Tong, Hou Yu-Hua, Zheng Shou-Hong, Huang You-Lin, Tao Xiao-Ma.First-principles study of effects of Ga, Ge and As doping on electrochemical properties and electronic structure of Li2CoSiO4serving as cathode material for Li-ion batteries. Acta Physica Sinica, 2019, 68(18): 187101.doi:10.7498/aps.68.20190503 |
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Wang Guan-Shi, Lin Yan-Ming, Zhao Ya-Li, Jiang Zhen-Yi, Zhang Xiao-Dong.Electronic and optical performances of (Cu, N) codoped TiO2/MoS2heterostructure photocatalyst: Hybrid DFT (HSE06) study. Acta Physica Sinica, 2018, 67(23): 233101.doi:10.7498/aps.67.20181520 |
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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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Zhai Shun-Cheng, Guo Ping, Zheng Ji-Ming, Zhao Pu-Ju, Suo Bing-Bing, Wan Yun.First principle study of electronic structures and optical absorption properties of O and S doped graphite phase carbon nitride (g-C3N4)6 quantum dots. Acta Physica Sinica, 2017, 66(18): 187102.doi:10.7498/aps.66.187102 |
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Jia Ming-Zhen, Wang Hong-Yan, Chen Yuan-Zheng, Ma Cun-Liang, Wang Hui.First-principles study of electronic structures and electrochemical properties for Al, Fe and Mg doped Li2MnSiO4. Acta Physica Sinica, 2015, 64(8): 087101.doi:10.7498/aps.64.087101 |
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Zhu Xue-Wen, Xu Li-Chun, Liu Rui-Ping, Yang Zhi, Li Xiu-Yan.N-F co-doped in titaninum dioxide nanotube of the anatase (101) surface: a first-principles study. Acta Physica Sinica, 2015, 64(14): 147103.doi:10.7498/aps.64.147103 |
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Xu Jing, Liang Jia-Qing, Li Hong-Ping, Li Chang-Sheng, Liu Xiao-Juan, Meng Jian.First-principles study on the electronic structure of Ti-doped NbSe2. Acta Physica Sinica, 2015, 64(20): 207101.doi:10.7498/aps.64.207101 |
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Xu Lei, Dai Zhen-Hong, Sui Peng-Fei, Wang Wei-Tian, Sun Yu-Ming.Electronic and magnetic properties of fluorinated graphene sheets with divacancy substitutional doping. Acta Physica Sinica, 2014, 63(18): 186101.doi:10.7498/aps.63.186101 |
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Li Hong-Lin, Zhang Zhong, Lü Ying-Bo, Huang Jin-Zhao, Zhang Ying, Liu Ru-Xi.First principles study on the electronic and optical properties of ZnO doped with rare earth. Acta Physica Sinica, 2013, 62(4): 047101.doi:10.7498/aps.62.047101 |
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Yang Shuang-Bo.Effect of doping concentration and doping thickness on the structure of electronic state of the Si uniformly doped GaAs quantum well. Acta Physica Sinica, 2013, 62(15): 157301.doi:10.7498/aps.62.157301 |
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Wu Mu-Sheng, Xu Bo, Liu Gang, Ouyang Chu-Ying.First-principles study on the electronic structures of Cr- and W-doped single-layer MoS2. Acta Physica Sinica, 2013, 62(3): 037103.doi:10.7498/aps.62.037103 |
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Xu Jin-Rong, Wang Ying, Zhu Xing-Feng, Li Ping, Zhang Li.First-principles study of N-doped and N-V co-doped anatase TiO2. Acta Physica Sinica, 2012, 61(20): 207103.doi:10.7498/aps.61.207103 |
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Wang Ying-Long, Wang Xiu-Li, Liang Wei-Hua, Guo Jian-Xin, Ding Xue-Cheng, Chu Li-Zhi, Deng Ze-Chao, Fu Guang-Sheng.First principles study of electronic and optical properties of Er-doped silicon nanoparticles with different densities. Acta Physica Sinica, 2011, 60(12): 127302.doi:10.7498/aps.60.127302 |
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Zhang Yun, Shao Xiao-Hong, Wang Zhi-Qiang.A first principle study on p-type doped 3C-SiC. Acta Physica Sinica, 2010, 59(8): 5652-5660.doi:10.7498/aps.59.5652 |
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Liang Wei-Hua, Ding Xue-Cheng, Chu Li-Zhi, Deng Ze-Chao, Guo Jian-Xin, Wu Zhuan-Hua, Wang Ying-Long.First-principles study of electronic and optical properties of Ni-doped silicon nanowires. Acta Physica Sinica, 2010, 59(11): 8071-8077.doi:10.7498/aps.59.8071 |
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Xu Xin-Fa, Shao Xiao-Hong.Calculation of the electronic structure of Y-doped SrTiO3. Acta Physica Sinica, 2009, 58(3): 1908-1916.doi:10.7498/aps.58.1908 |
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Guo Jian-Yun, Zheng Guang, He Kai-Hua, Chen Jing-Zhong.First-principles study on electronic structure and optical properties of Al and Mg doped GaN. Acta Physica Sinica, 2008, 57(6): 3740-3746.doi:10.7498/aps.57.3740 |
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Zhang Jia-Hong, Ma Rong, Liu Su, Liu Mei.First-principles calculations on the superconductivity and magnetism of doping MgCNi3. Acta Physica Sinica, 2006, 55(9): 4816-4821.doi:10.7498/aps.55.4816 |
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