[1] |
Li Xiao-Lin, Yuan Kun, He Jia-Le, Liu Hong-Feng, Zhang Jian-Bo, Zhou Yang.First principle study of adsorption and desorption behaviors of NH3molecule on the TaC (0001) surface. Acta Physica Sinica, 2022, 71(1): 017103.doi:10.7498/aps.71.20210400 |
[2] |
.Adsorption and Desorption Behaviors of the NH3 Molecule on the TaC (0001) surface: A First-Principles Study. Acta Physica Sinica, 2021, (): .doi:10.7498/aps.70.20210400 |
[3] |
Zhang Heng, Huang Yan, Shi Wang-Zhou, Zhou Xiao-Hao, Chen Xiao-Shuang.First-principles study on the diffusion dynamics of Al atoms on Si surface. Acta Physica Sinica, 2019, 68(20): 207302.doi:10.7498/aps.68.20190783 |
[4] |
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 |
[5] |
He Yan-Bin, Jia Jian-Feng, Wu Hai-Shun.First-principles study of stability and electronic structure of N2H4 adsorption on NiFe(111) alloy surface. Acta Physica Sinica, 2015, 64(20): 203101.doi:10.7498/aps.64.203101 |
[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] |
Zhang Feng-Chun, Li Chun-Fu, Zhang Cong-Lei, Ran Zeng-Ling.Surface absorptions of H2S, HS and S on Fe(111) investigated by density functional theory. Acta Physica Sinica, 2014, 63(12): 127101.doi:10.7498/aps.63.127101 |
[8] |
Zhang Yi-Jie, Tang Chun-Mei, Gao Feng-Zhi, Wang Cheng-Jie.Adsorption of H2O by the Li decorated C6Li molecule. Acta Physica Sinica, 2014, 63(14): 147401.doi:10.7498/aps.63.147401 |
[9] |
Sun Jian-Ping, Miao Ying-Meng, Cao Xiang-Chun.Density functional theory studies of O2 and CO adsorption on the graphene doped with Pd. Acta Physica Sinica, 2013, 62(3): 036301.doi:10.7498/aps.62.036301 |
[10] |
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 |
[11] |
Lv Bing, Linghu Rong-Feng, Song Xiao-Shu, Wang Xiao-Lu, Yang Xiang-Dong, He Duan-Wei.Adsorption and diffusion of oxygen on Pt (111) surface and subsurface. Acta Physica Sinica, 2012, 61(7): 076802.doi:10.7498/aps.61.076802 |
[12] |
Huang Ping, Yang Chun.Theoretical research of TiO2 adsorption on GaN(0001) surface. Acta Physica Sinica, 2011, 60(10): 106801.doi:10.7498/aps.60.106801 |
[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] |
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 |
[15] |
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 |
[16] |
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 |
[17] |
Lu Zhan-Sheng, Luo Gai-Xia, Yang Zong-Xian.The Interaction between Pd and CeO2(111) surface: A first-principle study. Acta Physica Sinica, 2007, 56(9): 5382-5388.doi:10.7498/aps.56.5382 |
[18] |
Chen Yu-Hong, Zhang Cai-Rong, Ma Jun.Density functional theory study on the structure and properties of MgmBn(m=1,2;n=1—4) clusters. Acta Physica Sinica, 2006, 55(1): 171-178.doi:10.7498/aps.55.171 |
[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] |
Yang Chun, Li Yan-Rong, Yan Qi-Li, Liu Yong-Hua.Effects of atomic defects of α-Al2O3(0001) on ZnO adsorption. Acta Physica Sinica, 2005, 54(5): 2364-2368.doi:10.7498/aps.54.2364 |