[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] |
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 |
[4] |
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 |
[5] |
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 |
[6] |
Zhang Xiu-Rong, Wang Yang-Yang, Li Wei-Jun, Yuan Ai-Hua.Density functional theory study of the adsorption of CO on Wn (n= 16) clusters. Acta Physica Sinica, 2013, 62(5): 053603.doi:10.7498/aps.62.053603 |
[7] |
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 |
[8] |
Chen Xue-Feng, Qi Kai-Tian, Li Bing, Sheng Yong, Zhang Yan, Yang Chuan-Lu.Density functional theory study of silica clusters (SiO2)n-(n≤7). Acta Physica Sinica, 2010, 59(7): 4598-4601.doi:10.7498/aps.59.4598 |
[9] |
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 |
[10] |
Lu Qi-Liang, Luo Qi-Quan, Chen Li-Li.Density functional theory study of hydrogen adsorption on C@Al12 cluster. Acta Physica Sinica, 2010, 59(1): 234-238.doi:10.7498/aps.59.234 |
[11] |
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 |
[12] |
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 |
[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] |
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 |
[15] |
Chen Wen-Bin, Tao Xiang-Ming, Chen Xin, Tan Ming-Qiu.A density-functional theory study on the chemisorption and STM images of Ag(100)/O surface. Acta Physica Sinica, 2008, 57(1): 488-495.doi:10.7498/aps.57.488 |
[16] |
Zhao Wen-Jie, Yang Zhi, Yan Yu-Li, Lei Xue-Ling, Ge Gui-Xian, Wang Qing-Lin, Luo You-Hua.Ground-state structures and magnetisms of GenFe(n=1—8) clusters: The density functional investigations. Acta Physica Sinica, 2007, 56(5): 2596-2602.doi:10.7498/aps.56.2596 |
[17] |
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 |
[18] |
Cai Jian-Qiu, Tao Xiang-Ming, Chen Wen-Bin, Zhao Xin-Xin, Tan Ming-Qiu.Density functional theory study on the atomic structure and electronic states of Cu(100) (2×22)R45°-O surface. Acta Physica Sinica, 2005, 54(11): 5350-5355.doi:10.7498/aps.54.5350 |
[19] |
Tao Xiang-Ming, Tan Ming-Qiu, Xu Xiao-Jun, Cai Jian-Qiu, Chen Wen-Bin, Zhao Xin-Xin.Theoretical study on the atomic structure, electronic states, and STM image of c(2×2) Cu(001)/O surface. Acta Physica Sinica, 2004, 53(11): 3858-3862.doi:10.7498/aps.53.3858 |
[20] |
YE LING, ZHANG KAI-MING.A TOTAL ENERGY LDF-DVM STUDY ON THE CHEMISORPTION OF IODINE ON Si AND Ge(111) SURFACES. Acta Physica Sinica, 1987, 36(1): 47-53.doi:10.7498/aps.36.47 |