| [1] |
Luan Xiao-Wei, Sun Jian-Ping, Wang Fan-Song, Wei Hui-Lan, Hu Yi-Fan. Density functional study of metal lithium atom adsorption on antimonene. Acta Physica Sinica,
2019, 68(2): 026802.
doi: 10.7498/aps.68.20181648
|
| [2] |
Luo Qiang, Yang Heng, Guo Ping, Zhao Jian-Fei. Density functional theory calculation of structure and electronic properties in N-methane hydrate. Acta Physica Sinica,
2019, 68(16): 169101.
doi: 10.7498/aps.68.20182230
|
| [3] |
Yang Zhen-Qing, Bai Xiao-Hui, Shao Chang-Jin. Density functional theory studies of (TiO2)12 quantum ring and its electronic properties when doped with transition metal compounds. Acta Physica Sinica,
2015, 64(7): 077102.
doi: 10.7498/aps.64.077102
|
| [4] |
Yu Ben-Hai, Chen Dong. Phase transition, electronic and optical properties of Si3N4 new phases at high pressure with density functional theory. Acta Physica Sinica,
2014, 63(4): 047101.
doi: 10.7498/aps.63.047101
|
| [5] |
Xu Ying-Ying, Kan Yu-He, Wu Jie, Tao Wei, Su Zhong-Min. Theoretical study on the electronic structures and photophysical properties of carbon nanorings and their analogues. Acta Physica Sinica,
2013, 62(8): 083101.
doi: 10.7498/aps.62.083101
|
| [6] |
Yuan Jian-Mei, Hao Wen-Ping, Li Shun-Hui, Mao Yu-Liang. Density functional study on the adsorption of C atoms on Ni (111) surface. Acta Physica Sinica,
2012, 61(8): 087301.
doi: 10.7498/aps.61.087301
|
| [7] |
Xie Xiao-Dong, Hao Yu-Ying, Zhang Ri-Guang, Wang Bao-Jun. Lithium-doped tris (8-hydroxyquinoline) aluminum studied by density functional theory. Acta Physica Sinica,
2012, 61(12): 127201.
doi: 10.7498/aps.61.127201
|
| [8] |
Hu Hui-Fang, Wang Zhi-Yong, Chen Nan-Ting, Xie Neng, Lin Bing-Bing, Zhang Li-Juan. Effects of nitrogen in Stone-Wales defect on the electronic structure and optical property of single-wall carbon nanotube. Acta Physica Sinica,
2011, 60(7): 077209.
doi: 10.7498/aps.60.077209
|
| [9] |
Wei Yan, Hu Hui-Fang, Wang Zhi-Yong, Cheng Cai-Ping, Chen Nan-Ting, Xie Neng. Theoretical research on the electronic structure and transport properties of nitrogen doping chiral carbon nanotubes. Acta Physica Sinica,
2011, 60(2): 027307.
doi: 10.7498/aps.60.027307
|
| [10] |
Sun Jian-Min, Zhao Gao-Feng, Wang Xian-Wei, Yang Wen, Liu Yan, Wang Yuan-Xu. Study of structural and electronic properties of Cu-adsorbed (SiO2)n(n=1—8) clusters with the DFT. Acta Physica Sinica,
2010, 59(11): 7830-7837.
doi: 10.7498/aps.59.7830
|
| [11] |
Gao Hong, Zhu Wei-Hua, Tang Chun-Mei, Geng Fang-Fang, Yao Chang-Da, Xu Yun-Ling, Deng Kai-Ming. Density functional calculation on the geometric structure and electronic properties of the endohedral fullerene N2@C60. Acta Physica Sinica,
2010, 59(3): 1707-1711.
doi: 10.7498/aps.59.1707
|
| [12] |
Wang Yi-Jun, Wang Liu-Ding, Yang Min, Liu Guang-Qing, Yan Cheng. Structural stability and field emission properties of carbon nanotubes doped by a boron atom and adsorbed with several H2O molecules. Acta Physica Sinica,
2010, 59(7): 4950-4954.
doi: 10.7498/aps.59.4950
|
| [13] |
Meng Da-Qiao, Luo Wen-Hua, Li Gan, Chen Hu-Chi. Density functional study of CO2 adsorption on Pu(100) surface. Acta Physica Sinica,
2009, 58(12): 8224-8229.
doi: 10.7498/aps.58.8224
|
| [14] |
Lin Feng, Zheng Fa-Wei, Ouyang Fang-Ping. A density functional theory study on water adsorption on TiO2-terminated SrTiO3（001） surface. Acta Physica Sinica,
2009, 58(13): 193-S198.
doi: 10.7498/aps.58.193
|
| [15] |
Li Xi-Bo, Wang Hong-Yan, Luo Jiang-Shan, Wu Wei-Dong, Tang Yong-Jian. Density functional theory study of the geometry, stability and electronic properties of ScnO(n=1—9) clusters. Acta Physica Sinica,
2009, 58(9): 6134-6140.
doi: 10.7498/aps.58.6134
|
| [16] |
Yang Pei-Fang, Hu Juan-Mei, Teng Bo-Tao, Wu Feng-Min, Jiang Shi-Yu. Density functional theory study of rhodium adsorption on single-wall carbon nanotubes. Acta Physica Sinica,
2009, 58(5): 3331-3337.
doi: 10.7498/aps.58.3331
|
| [17] |
Yang Min, Wang Liu-Ding, Chen Guo-Dong, An Bo, Wang Yi-Jun, Liu Guang-Qing. First-principles study on field emission of C-doped capped single-walled BNNT. Acta Physica Sinica,
2009, 58(10): 7151-7155.
doi: 10.7498/aps.58.7151
|
| [18] |
Li Xi-Bo, Luo Jiang-Shan, Guo Yun-Dong, Wu Wei-Dong, Wang Hong-Yan, Tang Yong-Jian. Density functional theory study of the stability, electronic and magnetic properties of Scn, Yn and Lan (n＝2—10) clusters. Acta Physica Sinica,
2008, 57(8): 4857-4865.
doi: 10.7498/aps.57.4857
|
| [19] |
Chen Guo-Dong, Wang Liu-Ding, Zhang Jiao-Qiang, Cao De-Cai, An Bo, Ding Fu-Cai, Liang Jin-Kui. First-principles study of electron field emission from the carbon nanotube with B doping and H2O adsorption. Acta Physica Sinica,
2008, 57(11): 7164-7167.
doi: 10.7498/aps.57.7164
|
| [20] |
Zeng Zhen-Hua, Deng Hui-Qiu, Li Wei-Xue, Hu Wang-Yu. Density function theory calculation of oxygen adsorption on Au(111) surface. Acta Physica Sinica,
2006, 55(6): 3157-3164.
doi: 10.7498/aps.55.3157
|
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