| [1] |
Peng Shu-Ping, Huang Xu-Dong, Liu Qian, Ren Peng, Wu Dan, Fan Zhi-Qiang. First-principles study of single-molecule-structure determination of dithienoborepin isomers. Acta Physica Sinica,
2023, 72(5): 058501.
doi: 10.7498/aps.72.20221973
|
| [2] |
Dong Xiao. Density functional theory on reaction mechanism between p-doped LiNH2 clusters and LiH and a new hydrogen storage and desorption mechanism. Acta Physica Sinica,
2023, 72(15): 153101.
doi: 10.7498/aps.72.20230374
|
| [3] |
Liang Fei, Lin Zhe-Shuai, Wu Yi-Cheng. First principle study of nonlinear optical crystals. Acta Physica Sinica,
2018, 67(11): 114203.
doi: 10.7498/aps.67.20180189
|
| [4] |
Liu Xiu-Ying, Li Xiao-Feng, Yu Jing-Xin, Li Xiao-Dong. Density functional theory study of hydrogen spillover mechanism on Pd doped covalent organic frameworks COF-108. Acta Physica Sinica,
2016, 65(15): 157302.
doi: 10.7498/aps.65.157302
|
| [5] |
Wang Ya-Jing, Li Gui-Xia, Wang Zhi-Hua, Gong Li-Ji, Wang Xiu-Fang. Diameter monodispersity of imogolite-like nanotube: a density functional theory study. Acta Physica Sinica,
2016, 65(4): 048101.
doi: 10.7498/aps.65.048101
|
| [6] |
Dai Guang-Zhen, Jiang Xian-Wei, Xu Tai-Long, Liu Qi, Chen Jun-Ning, Dai Yue-Hua. Effect of oxygen vacancy on lattice and electronic properties of HfO2 by means of density function theory study. Acta Physica Sinica,
2015, 64(3): 033101.
doi: 10.7498/aps.64.033101
|
| [7] |
Hu Xiao-Ying, Tian Hong-Wei, Song Li-Jun, Zhu Pin-Wen, Qiao Liang. First-prinicples study of Li-N and Li-2N codoped p-type ZnO. Acta Physica Sinica,
2012, 61(4): 047102.
doi: 10.7498/aps.61.047102
|
| [8] |
Dou Jun-Qing, Kang Xue-Ya, Tuerdi Wumair, Hua Ning, Han Ying. The first principles and experimental study on Mn-doped LiFePO4. Acta Physica Sinica,
2012, 61(8): 087101.
doi: 10.7498/aps.61.087101
|
| [9] |
Zhang Yi-Jun, Yan Jin-Liang, Zhao Gang, Xie Wan-Feng. First-principles calculation and experimental study of Si-doped β-Ga2O3. Acta Physica Sinica,
2011, 60(3): 037103.
doi: 10.7498/aps.60.037103
|
| [10] |
Ma Guo-Jia, Zhu Jia-Qi, Gong Shui-Li, Gao Wei. First principles studies of nitrogen doped tetrahedral amorphous carbon. Acta Physica Sinica,
2011, 60(2): 027104.
doi: 10.7498/aps.60.027104
|
| [11] |
Zhang Hui, Xiao Ming-Zhu, Zhang Guo-Ying, Lu Guang-Xia, Zhu Sheng-Long. Interpretation of dehydrogenation ability of high-density hydrogen storage materials by density functional theory. Acta Physica Sinica,
2011, 60(2): 026103.
doi: 10.7498/aps.60.026103
|
| [12] |
Lu Guang-Xia, Zhang Hui, Zhang Guo-Ying, Liang Ting, Li Dan, Zhu Sheng-Long. Mechanism of the influence of the interaction between interstitial H atom and doped atom on the dehydrogenation performance of LiNH2. Acta Physica Sinica,
2011, 60(11): 117101.
doi: 10.7498/aps.60.117101
|
| [13] |
Li Qi, Fan Guang-Han, Xiong Wei-Ping, Zhang Yong. First-principles calculations of ZnO polar surfaces and N adsorption mechanism. Acta Physica Sinica,
2010, 59(6): 4170-4177.
doi: 10.7498/aps.59.4170
|
| [14] |
Zhou Jing-Jing, Chen Yun-Gui, Wu Chao-Ling, Pang Li-Juan, Zheng Xin, Gao Tao. The first-principles study on the elasticity of V-based solid solution hydrogen storage materials. Acta Physica Sinica,
2009, 58(10): 7044-7049.
doi: 10.7498/aps.58.7044
|
| [15] |
Yang Chong, Yang Chun. First-principles study of atomic and electronic structures of the silicon oxide clusters on Si(001) surfaces. Acta Physica Sinica,
2009, 58(8): 5362-5369.
doi: 10.7498/aps.58.5362
|
| [16] |
Zhu Guo-Liang, Shu Da, Dai Yong-Bing, Wang Jun, Sun Bao-De. First principles study on substitution behaviour of Si in TiAl3. Acta Physica Sinica,
2009, 58(13): 210-S215.
doi: 10.7498/aps.58.210
|
| [17] |
Niu Xue-Lian, Deng Yu-Fu, Li Xue. First-principles study of NaMgH3 by fluorine anion doping for hydrogen storage. Acta Physica Sinica,
2009, 58(10): 7317-7321.
doi: 10.7498/aps.58.7317
|
| [18] |
Chen Yu-Hong, Kang Long, Zhang Cai-Rong, Luo Yong-Chun, Pu Zhong-Sheng. Density functional theory study of the structures and properties of (Li3N)n(n=1—5) clusters. Acta Physica Sinica,
2008, 57(7): 4174-4181.
doi: 10.7498/aps.57.4174
|
| [19] |
Chen Yu-Hong, Kang Long, Zhang Cai-Rong, Luo Yong-Chun, Ma Jun. Density functional theory study of ［Mg(NH2)2］n(n=1—5) clusters. Acta Physica Sinica,
2008, 57(8): 4866-4874.
doi: 10.7498/aps.57.4866
|
| [20] |
Dang Hong-Li, Wang Chong-Yu, Yu Tao. First-principles investigation on alloying effect of Nb and Mo in γ-TiAl. Acta Physica Sinica,
2007, 56(5): 2838-2844.
doi: 10.7498/aps.56.2838
|
下载:
