| [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] |
Wang Kun, Qiao Ying-Jie, Zhang Xiao-Hong, Wang Xiao-Dong, Zheng Ting, Bai Cheng-Ying, Zhang Yi-Ming, Du Shi-Yu. First-principles study of effect of ideal tensile/shear strain on chemical bond length and charge density distribution of U3Si2. Acta Physica Sinica,
2022, 71(22): 227102.
doi: 10.7498/aps.71.20221210
|
| [4] |
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
|
| [5] |
Zhang Chen-Jun, Wang Yang-Li, Chen Chao-Kang. Density functional theory of InCn+(n=110) clusters. Acta Physica Sinica,
2018, 67(11): 113101.
doi: 10.7498/aps.67.20172662
|
| [6] |
Liu Kun, Wang Fu-He, Shang Jia-Xiang. First-principles study on the adsorption of oxygen at NiTi (110) surface. Acta Physica Sinica,
2017, 66(21): 216801.
doi: 10.7498/aps.66.216801
|
| [7] |
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
|
| [8] |
Wen Jun-Qing, Zhang Jian-Min, Yao Pan, Zhou Hong, Wang Jun-Fei. A density functional theory study of small bimetallic PdnAl (n =18) clusters. Acta Physica Sinica,
2014, 63(11): 113101.
doi: 10.7498/aps.63.113101
|
| [9] |
Wen Jun-Qing, Xia Tao, Wang Jun-Fei. A density functional theory study of small bimetallic PtnAl (n=18) clusters. Acta Physica Sinica,
2014, 63(2): 023103.
doi: 10.7498/aps.63.023103
|
| [10] |
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
|
| [11] |
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
|
| [12] |
Liang Pei, Liu Yang, Wang Le, Wu Ke, Dong Qian-Min, Li Xiao-Yan. Investigation of the doping failure induced by DB in the SiNWs using first principles method. Acta Physica Sinica,
2012, 61(15): 153102.
doi: 10.7498/aps.61.153102
|
| [13] |
Fang Cai-Hong, Shang Jia-Xiang, Liu Zeng-Hui. Oxygen adsorption on Nb(110) surface by first-principles calculation. Acta Physica Sinica,
2012, 61(4): 047101.
doi: 10.7498/aps.61.047101
|
| [14] |
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
|
| [15] |
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
|
| [16] |
Jin Rong, Chen Xiao-Hong. Structure and properties of ZrnPd clusters by density-functional theory. Acta Physica Sinica,
2010, 59(10): 6955-6962.
doi: 10.7498/aps.59.6955
|
| [17] |
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
|
| [18] |
Zhou Jing-Jing, Chen Yun-Gui, Wu Chao-Ling, Zheng Xin, Fang Yu-Chao, Gao Tao. First-pricinples design on atomic scale for new lightweight hydrogen storage materials. Acta Physica Sinica,
2009, 58(7): 4853-4861.
doi: 10.7498/aps.58.4853
|
| [19] |
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
|
| [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:
