[1] |
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 |
[2] |
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 |
[3] |
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 |
[4] |
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 |
[5] |
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 |
[6] |
Lü Jin, Yang Li-Jun, Wang Yan-Fang, Ma Wen-Jin.Density functional theory study of structure characteristics and stabilities of Al2Sn(n=2-10) clusters. Acta Physica Sinica, 2014, 63(16): 163601.doi:10.7498/aps.63.163601 |
[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] |
Zhang Xiao-Xing, Meng Fan-Sheng, Tang Ju, Yang Bing.DFT calculations on the adsorption of component SF6 decomposed under partial discharge onto carbon nanotubes modified by -OH. Acta Physica Sinica, 2012, 61(15): 156101.doi:10.7498/aps.61.156101 |
[9] |
Fan Bing-Bing, Wang Li-Na, Wen He-Jing, Guan Li, Wang Hai-Long, Zhang Rui.Study on the structure of water chain encapsulated in carbon nanotube by density functional theory. Acta Physica Sinica, 2011, 60(1): 012101.doi:10.7498/aps.60.012101 |
[10] |
Zhao Hua-Bo, Wang Liang, Zhang Zhao-Hui.Effect of palladium adsorption on the electrical transport of semiconducting carbon nanotubes. Acta Physica Sinica, 2011, 60(8): 087302.doi:10.7498/aps.60.087302 |
[11] |
Zheng Ji-Ming, Zhao Pei, Chen You-Wei, Ren Zhao-Yu, Guo Ping.Theoretical investigation on electron transport properties of singlewall carbon nanotube with oxygen molecular absorption. Acta Physica Sinica, 2011, 60(6): 068501.doi:10.7498/aps.60.068501 |
[12] |
Liu Sha, Wu Feng-Min, Teng Bo-Tao, Yang Pei-Fang.Helicity effects on Rh adsorption behavior inside and outside the single-wall carbon nanotubes. Acta Physica Sinica, 2011, 60(8): 087102.doi:10.7498/aps.60.087102 |
[13] |
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 |
[14] |
Xu Hui, Xiao Jin, Ouyang Fang-Ping.Boron/nitrogen pairs doping in armchair single-walled carbon nanotubes. Acta Physica Sinica, 2010, 59(6): 4186-4193.doi:10.7498/aps.59.4186 |
[15] |
Wang Liang, Zhang Zhao-Hui.First-principles calculation on interaction between a semiconducting single-walled carbon nanotube and its graphite substrate. Acta Physica Sinica, 2009, 58(10): 7147-7150.doi:10.7498/aps.58.7147 |
[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] |
Wang Zhao-Liang, Liang Jin-Guo, Tang Da-Wei, Y. T. Zhu.Experimental and theoretical study of the length-dependent thermal conductivity of individual single-walled carbon nanotubes. Acta Physica Sinica, 2008, 57(6): 3391-3396.doi:10.7498/aps.57.3391 |
[18] |
Chen Xiang-Lei, Xi Chuan-Ying, Ye Bang-Jiao, Weng Hui-Min.Analysis of positron annihilation lifetime in single-walled carbon nanotube bundles. Acta Physica Sinica, 2007, 56(11): 6695-6700.doi:10.7498/aps.56.6695 |
[19] |
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 |
[20] |
Liang Jun-Wu, Hu Hui-Fang, Wei Jian-Wei, Peng Ping.Effects of oxygen adsorption on the electronic structure and optical properties of single-wall carbon nanotubes. Acta Physica Sinica, 2005, 54(6): 2877-2882.doi:10.7498/aps.54.2877 |