[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] |
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] |
.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 |
[4] |
.First principles study of Fe atom adsorbed biphenylene monolayer. Acta Physica Sinica, 2021, (): .doi:10.7498/aps.70.20211631 |
[5] |
Fang Yu-Zhen, Kong Xiang-Jin, Wang Dong-Ting, Cui Shou-Xin, Liu Jun-Hai.First principle study of electron and band structure of BixBa1-xTiO3. Acta Physica Sinica, 2018, 67(11): 117101.doi:10.7498/aps.67.20172644 |
[6] |
Ma Lei, Yin Yao-Peng, Ding Xiao-Bin, Dong Chen-Zhong.Structures and properties of Np(NO3)nq (n=16, q=-2+3) coordination compound. Acta Physica Sinica, 2017, 66(6): 063101.doi:10.7498/aps.66.063101 |
[7] |
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 |
[8] |
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 |
[9] |
Zhang Bei, Bao An, Chen Chu, Zhang Jun.Density-functional theory study of ConCm (n=15, m=1,2) clusters. Acta Physica Sinica, 2012, 61(15): 153601.doi:10.7498/aps.61.153601 |
[10] |
Tang Chun-Mei, Guo Wei, Zhu Wei-Hua, Liu Ming-Yi, Zhang Ai-Mei, Gong Jiang-Feng, Wang Hui.Density functional calculations of geomatric structure, electronic structure, stability, and magnetic properties of transitional atom endohedral unclassical fullerene M@C22(M=Sc,Ti, V, Cr, Mn, Fe, Co and Ni). Acta Physica Sinica, 2012, 61(2): 026101.doi:10.7498/aps.61.026101 |
[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] |
Cao Qing-Song, Yuan Yong-Bo, Xiao Chuan-Yun, Lu Rui-Feng, Kan Er-Jun, Deng Kai-Ming.Density functional study on the geometric and electronic properties of C80H80. Acta Physica Sinica, 2012, 61(10): 106101.doi:10.7498/aps.61.106101 |
[13] |
Meng Zhen-Hua, Li Jun-Bin, Guo Yong-Quan, Wang Yi.Correlations between the valence electron structure and melt pointing and cohesive energies of rare earth metals. Acta Physica Sinica, 2012, 61(10): 107101.doi:10.7498/aps.61.107101 |
[14] |
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 |
[15] |
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 |
[16] |
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 |
[17] |
Chen Liang, Xu Can, Zhang Xiao-Fang.Electronic properties of MgO nanotube clusters studied with density functional theory. Acta Physica Sinica, 2009, 58(3): 1603-1607.doi:10.7498/aps.58.1603 |
[18] |
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 |
[19] |
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 |
[20] |
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 |