[1] |
Fang Yu-Xuan, Yang Yi, Xia Zhi-Liang, Huo Zong-Liang.First-principles study of F adsorption by TiN with its oxide surface in three-dimensional NAND flash memory. Acta Physica Sinica, 2024, 73(12): 128502.doi:10.7498/aps.73.20240254 |
[2] |
Wang Qi-Ming, Zhang Yi-Jun, Wang Xing-Chao, Wang Liang, Jin Mu-Chun, Ren Ling, Liu Xiao-Rong, Qian Yun-Sheng.First-principles study of Cs/O deposited Na2KSb photocathode surface. Acta Physica Sinica, 2024, 73(8): 088501.doi:10.7498/aps.73.20231561 |
[3] |
Li Jun-Wei, Jia Wei-Min, Lü Sha-Sha, Wei Ya-Xuan, Li Zheng-Cao, Wang Jin-Tao.First principles study of hydrogen adsorption and dissociation behavior on γ-U (100)/Mo surface. Acta Physica Sinica, 2022, 71(22): 226601.doi:10.7498/aps.71.20220631 |
[4] |
Wang Xiao-Ka, Tang Fu-Ling, Xue Hong-Tao, Si Feng-Juan, Qi Rong-Fei, Liu Jing-Bo.First-principles study of H, Cl and F passivation for Cu2ZnSnS4(112) surface states. Acta Physica Sinica, 2018, 67(16): 166401.doi:10.7498/aps.67.20180626 |
[5] |
Jiang Ping-Guo, Wang Zheng-Bing, Yan Yong-Bo.First-principles study on adsorption mechanism of hydrogen on tungsten trioxide surface. Acta Physica Sinica, 2017, 66(8): 086801.doi:10.7498/aps.66.086801 |
[6] |
Liu Kun, Wang Fu-He, Shang Jia-Xiang.First-principles study on the adsorption of oxygen at NiTi (110) surface. Acta Physica Sinica, 2017, 66(21): 216801.doi:10.7498/aps.66.216801 |
[7] |
Liu Feng-Bin, Chen Wen-Bin, Cui Yan, Qu Min, Cao Lei-Gang, Yang Yue.A first principles study on the active adsorbates on the hydrogenated diamond surface. Acta Physica Sinica, 2016, 65(23): 236802.doi:10.7498/aps.65.236802 |
[8] |
Li Guo-Qi, Zhang Xiao-Chao, Ding Guang-Yue, Fan Cai-Mei, Liang Zhen-Hai, Han Pei-De.Study on the atomic and electronic structures of BiOCl{001} surface using first principles. Acta Physica Sinica, 2013, 62(12): 127301.doi:10.7498/aps.62.127301 |
[9] |
Zhang Yang, Huang Yan, Chen Xiao-Shuang, Lu Wei.The study of oxygen and sulfur adsorption on the InSb (110) surface, using first-principle energy calculations. Acta Physica Sinica, 2013, 62(20): 206102.doi:10.7498/aps.62.206102 |
[10] |
Du Yu-Jie, Chang Ben-Kang, Zhang Jun-Ju, Li Biao, Wang Xiao-Hui.First-principles study of the electronic structure and optical properties of GaN(0001) surface. Acta Physica Sinica, 2012, 61(6): 067101.doi:10.7498/aps.61.067101 |
[11] |
Chen Yu-Hong, Du Rui, Zhang Zhi-Long, Wang Wei-Chao, Zhang Cai-Rong, Kang Long, Luo Yong-Chun.First principles study of H2 molecule adsorption on Li3 N(110) surfaces. Acta Physica Sinica, 2011, 60(8): 086801.doi:10.7498/aps.60.086801 |
[12] |
Wang Mang-Mang, Ning Hua, Tao Xiang-Ming, Tan Ming-Qiu.Density-functional theory investigation of atomic geometryand oxygen adsorption of Au(110) surface. Acta Physica Sinica, 2011, 60(4): 047301.doi:10.7498/aps.60.047301 |
[13] |
Cao Yi-Jie, Ren Bao-Xing, Chen Yu-Hong.First-principles study on the catalytic role of Ti in the hydrogenation of Al(110) surfaces. Acta Physica Sinica, 2010, 59(11): 8015-8020.doi:10.7498/aps.59.8015 |
[14] |
Li Qi, Fan Guang-Han, Xiong Wei-Ping, Zhang Yong.First-principles calculations of ZnO polar surfaces and N adsorption mechanism. Acta Physica Sinica, 2010, 59(6): 4170-4177.doi:10.7498/aps.59.4170 |
[15] |
Yang Chong, Yang Chun.First-principles study of atomic and electronic structures of the silicon oxide clusters on Si(001) surfaces. Acta Physica Sinica, 2009, 58(8): 5362-5369.doi:10.7498/aps.58.5362 |
[16] |
Zhao Wei, Wang Jia-Dao, Liu Feng-Bin, Chen Da-Rong.First principles study of H2O molecule adsorption on Fe(100), Fe(110) and Fe(111) surfaces. Acta Physica Sinica, 2009, 58(5): 3352-3358.doi:10.7498/aps.58.3352 |
[17] |
Xu Gui-Gui, Wu Qing-Yun, Zhang Jian-Min, Chen Zhi-Gao, Huang Zhi-Gao.First-principles study of the adsorption energy and work function of oxygen adsorption on Ni(111) surface. Acta Physica Sinica, 2009, 58(3): 1924-1930.doi:10.7498/aps.58.1924 |
[18] |
Song Hong-Zhou, Zhang Ping, Zhao Xian-Geng.First-principles calculation of Be(0001) thin films: quantum size effect and adsorption of atomic hydrogen. Acta Physica Sinica, 2007, 56(1): 465-473.doi:10.7498/aps.56.465 |
[19] |
Song Hong-Zhou, Zhang Ping, Zhao Xian-Geng.First-principles calculation of atomic hydrogen adsorption on Be(1010) thin films. Acta Physica Sinica, 2006, 55(11): 6025-6031.doi:10.7498/aps.55.6025 |
[20] |
Yao Hong-Ying, Gu Xiao, Ji Min, Zhang Di-Er, Gong Xin-Gao.First-principles study of metal atoms adsorbed on SiO2 surface. Acta Physica Sinica, 2006, 55(11): 6042-6046.doi:10.7498/aps.55.6042 |