[1] |
Wang Xue-Bing, Tang Chun-Mei, Xie Zi-Han, Yu Rui, Yan Jie, Jiang Cheng-Le.Theoretical research of toxic gases adsorbed by Mo-doped two-dimensional VS2structure. Acta Physica Sinica, 2024, 73(1): 013101.doi:10.7498/aps.73.20231236 |
[2] |
Wu Hong-Fen, Feng Pan-Jun, Zhang Shuo, Liu Da-Peng, Gao Miao, Yan Xun-Wang.First-principles study of Fe atom adsorbed biphenylene monolayer. Acta Physica Sinica, 2022, 71(3): 036801.doi:10.7498/aps.71.20211631 |
[3] |
.First principles study of Fe atom adsorbed biphenylene monolayer. Acta Physica Sinica, 2021, (): .doi:10.7498/aps.70.20211631 |
[4] |
Cui Shu-Wen, Li Lu, Wei Lian-Jia, Qian Ping.Theoretical study of density functional of confined CO oxidation reaction between bilayer graphene. Acta Physica Sinica, 2019, 68(21): 218101.doi:10.7498/aps.68.20190447 |
[5] |
Liang Jin-Tao, Yan Xiao-Hong, Zhang Ying, Xiao Yang.Non-collinear magnetism and electronic transport of boron or nitrogen doped zigzag graphene nanoribbon. Acta Physica Sinica, 2019, 68(2): 027101.doi:10.7498/aps.68.20181754 |
[6] |
Cao Hai-Yan, Bi Heng-Chang, Xie Xiao, Su Shi, Sun Li-Tao.Functional tissues based on graphene oxide: facile preparation and dye adsorption properties. Acta Physica Sinica, 2016, 65(14): 146802.doi:10.7498/aps.65.146802 |
[7] |
Lin Wen-Qiang, Xu Bin, Chen Liang, Zhou Feng, Chen Jun-Lang.Molecular dynamics simulations of the adsorption of bisphenol A on graphene oxide. Acta Physica Sinica, 2016, 65(13): 133102.doi:10.7498/aps.65.133102 |
[8] |
Sun Jian-Ping, Zhou Ke-Liang, Liang Xiao-Dong.Density functional study on the adsorption characteristics of O, O2, OH, and OOH of B-, P-doped, and B, P codoped graphenes. Acta Physica Sinica, 2016, 65(1): 018201.doi:10.7498/aps.65.018201 |
[9] |
Huang Yan-Ping, Yuan Jian-Mei, Guo Gang, Mao Yu-Liang.First-principles study on saturated adsorption of alkali metal atoms on silicene. Acta Physica Sinica, 2015, 64(1): 013101.doi:10.7498/aps.64.013101 |
[10] |
Huang Xiang-Qian, Lin Chen-Fang, Yin Xiu-Li, Zhao Ru-Guang, Wang En-Ge, Hu Zong-Hai.Hydrogen adsorption on one-dimensional graphene superlattices. Acta Physica Sinica, 2014, 63(19): 197301.doi:10.7498/aps.63.197301 |
[11] |
Ma Lei, Wang Xu, Shang Jia-Xiang.Effect of Pd in NiTi on the martensitic transformation temperatures and hysteresis: a first-principles study. Acta Physica Sinica, 2014, 63(23): 233103.doi:10.7498/aps.63.233103 |
[12] |
Li Feng, Xiao Chuan-Yun, Kan Er-Jun, Lu Rui-Feng, Deng Kai-Ming.Density functional study on the different behaviors of Pd and Pt coating on graphene. Acta Physica Sinica, 2014, 63(17): 176802.doi:10.7498/aps.63.176802 |
[13] |
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 |
[14] |
Tang Chun-Mei, Chen Xuan, Deng Kai-Ming, Hu Feng-Lan, Huang De-Cai, Xia Hai-Yan.The evolution of the structure and electronic properties of the fullerene derivatives C60(CF3)n(n=2, 4, 6, 10): A density functional calculation. Acta Physica Sinica, 2009, 58(4): 2675-2679.doi:10.7498/aps.58.2675 |
[15] |
Yang Jian, Wang Ni-Ying, Zhu Dong-Jiu, Chen Xuan, Deng Kai-Ming, Xiao Chuan-Yun.Density functional calculation of the geometric and magnetic properties of MPb10(M=Ti,V,Cr,Cu,Pd) clusters. Acta Physica Sinica, 2009, 58(5): 3112-3117.doi:10.7498/aps.58.3112 |
[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] |
Wei Yan-Wei, Yang Zong-Xian.The adsorption of Au on Zr-doped CeO2(110) surface: A first-principle study. Acta Physica Sinica, 2008, 57(11): 7139-7144.doi:10.7498/aps.57.7139 |
[18] |
Jiang Yan-Ling, Fu Shi-You, Deng Kai-Ming, Tang Chun-Mei, Tan Wei-Shi, Huang De-Cai, Liu Yu-Zhen, Wu Hai-Ping.Density functional study on the structural and electronic properties of fullerene-barbituric acid and its dimmer. Acta Physica Sinica, 2008, 57(6): 3690-3697.doi:10.7498/aps.57.3690 |
[19] |
Bai Yu-Jie, Fu Shi-You, Deng Kai-Ming, Tang Chun-Mei, Chen Xuan, Tan Wei-Shi, Liu Yu-Zhen, Huang De-Cai.Density functional calculations on the geometric and electronic structures of the endohedral fullerene H2@C60 and its dimmer. Acta Physica Sinica, 2008, 57(6): 3684-3689.doi:10.7498/aps.57.3684 |
[20] |
Sheng Yong, Mao Hua-Ping, Tu Ming-Jing.DFT study on the Mg-doped TinMg (n=1—10) clusters. Acta Physica Sinica, 2008, 57(7): 4153-4158.doi:10.7498/aps.57.4153 |