| [1] |
Chen Guang-Ping, Yang Jin-Ni, Qiao Chang-Bing, Huang Lu-Jun, Yu Jing. First-principles calculations of local structure and electronic properties of Er3+-doped TiO2. Acta Physica Sinica,
2022, 71(24): 246102.
doi: 10.7498/aps.71.20221847
|
| [2] |
Lin Hong-Bin, Lin Chun, Chen Yue, Zhong Ke-Hua, Zhang Jian-Min, Xu Gui-Gui, Huang Zhi-Gao. First-principles study of effect of Mg doping on structural stability and electronic structure of LiCoO2 cathode material. Acta Physica Sinica,
2021, 70(13): 138201.
doi: 10.7498/aps.70.20210064
|
| [3] |
Liang Ting, Wang Yang-Yang, Liu Guo-Hong, Fu Wang-Yang, Wang Huai-Zhang, Chen Jing-Fei. First-principles investigations on gas adsorption properties of V-doped monolayer MoS2. Acta Physica Sinica,
2021, 70(8): 080701.
doi: 10.7498/aps.70.20202043
|
| [4] |
Huang Bing-Quan, Zhou Tie-Ge, Wu Dao-Xiong, Zhang Zhao-Fu, Li Bai-Kui. Properties of vacancies and N-doping in monolayer g-ZnO: First-principles calculation and molecular orbital theory analysis. Acta Physica Sinica,
2019, 68(24): 246301.
doi: 10.7498/aps.68.20191258
|
| [5] |
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 Li2CoSiO4 serving as cathode material for Li-ion batteries. Acta Physica Sinica,
2019, 68(18): 187101.
doi: 10.7498/aps.68.20190503
|
| [6] |
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
|
| [7] |
Tao Peng-Cheng, Huang Yan, Zhou Xiao-Hao, Chen Xiao-Shuang, Lu Wei. First principles investigation of the tuning in metal-MoS2 interface induced by doping. Acta Physica Sinica,
2017, 66(11): 118201.
doi: 10.7498/aps.66.118201
|
| [8] |
Ruan Lu-Feng, Wang Lei, Sun De-Yan. Effect of Sr doping on electronic structure of La1-xSrxMnO3/LaAlO3/SrTiO3 heterointerface. Acta Physica Sinica,
2017, 66(18): 187301.
doi: 10.7498/aps.66.187301
|
| [9] |
Peng Qiong, He Chao-Yu, Li Jin, Zhong Jian-Xin. First-principles study of electronic properties of MoSi2 thin films. Acta Physica Sinica,
2015, 64(4): 047102.
doi: 10.7498/aps.64.047102
|
| [10] |
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
|
| [11] |
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
|
| [12] |
Wang Ping, Guo Li-Xin, Yang Yin-Tang, Zhang Zhi-Yong. First-principles study on electronic structures of Al, N Co-doped ZnO nanotubes. Acta Physica Sinica,
2013, 62(5): 056105.
doi: 10.7498/aps.62.056105
|
| [13] |
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
|
| [14] |
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
|
| [15] |
He Jie, Chen Jun, Wang Xiao-Zhong, Lin Li-Bin. The first principles study on mechanical propertiesof He doped grain boundary of Al. Acta Physica Sinica,
2011, 60(7): 077104.
doi: 10.7498/aps.60.077104
|
| [16] |
Li Pei-Juan, Zhou Wei-Wei, Tang Yuan-Hao, Zhang Hua, Shi Si-Qi. Electronic structure，optical and lattice dynamical properties of CeO2：A first-principles study. Acta Physica Sinica,
2010, 59(5): 3426-3431.
doi: 10.7498/aps.59.3426
|
| [17] |
Wu Hong-Li, Zhao Xin-Qing, Gong Sheng-Kai. Effect of Nb on electronic structure of NiTi intermetallic compound: A first-principles study. Acta Physica Sinica,
2010, 59(1): 515-520.
doi: 10.7498/aps.59.515
|
| [18] |
Tan Xing-Yi, Jin Ke-Xin, Chen Chang-Le, Zhou Chao-Chao. Electronic structure of YFe2B2by first-principles calculation. Acta Physica Sinica,
2010, 59(5): 3414-3417.
doi: 10.7498/aps.59.3414
|
| [19] |
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
|
| [20] |
Xu Xiao-Guang, Wei Ying-Jin, Meng Xing, Wang Chun-Zhong, Huang Zu-Fei, Chen Gang. Ab initio study of the effects of Mg, Al dopingon the electronic structure of LiCoO2. Acta Physica Sinica,
2004, 53(1): 210-213.
doi: 10.7498/aps.53.210
|
下载:
