[1] |
Wu Yu-Yang, Li Wei, Ren Qing-Ying, Li Jin-Ze, Xu Wei, Xu Jie.First-principles study on adsorption of gas molecules by metal Sc modified Ti2CO2. Acta Physica Sinica, 2024, 73(7): 073101.doi:10.7498/aps.73.20231432 |
[2] |
Peng Shu-Ping, Huang Xu-Dong, Liu Qian, Ren Peng, Wu Dan, Fan Zhi-Qiang.First-principles study of single-molecule-structure determination of dithienoborepin isomers. Acta Physica Sinica, 2023, 72(5): 058501.doi:10.7498/aps.72.20221973 |
[3] |
Yang Zi-Hao, Liu Gang, Wu Mu-Sheng, Shi Jing, Ouyang Chu-Ying, Yang Shen-Bo, Xu Bo.Electronic structures and molecular doping of germanane regulated by hydrogen vacancy clusters. Acta Physica Sinica, 2023, 72(12): 127101.doi:10.7498/aps.72.20230170 |
[4] |
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 |
[5] |
Chen Jian, Xiong Kang-Lin, Feng Jia-Gui.Adsorption of CoPc molecules on silicene surface. Acta Physica Sinica, 2022, 71(4): 040501.doi:10.7498/aps.71.20211607 |
[6] |
.Adsorption of Copc Molecules on Monolayer Silicene. Acta Physica Sinica, 2021, (): .doi:10.7498/aps.70.20211607 |
[7] |
Cui Xing-Qian, Liu Qian, Fan Zhi-Qiang, Zhang Zhen-Hua.Effects of oxygen adsorption on spin transport properties of single anthracene molecular devices. Acta Physica Sinica, 2020, 69(24): 248501.doi:10.7498/aps.69.20201028 |
[8] |
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 |
[9] |
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 |
[10] |
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 |
[11] |
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 |
[12] |
Zhu Yue, Li Yong-Cheng, Wang Fu-He.First principles study on the H2 diffusion and desorption at the Li-doped MgH2(001) surface. Acta Physica Sinica, 2016, 65(5): 056801.doi:10.7498/aps.65.056801 |
[13] |
Shi Yu, Bai Yang, Mo Li-Bin, Xiang Qing-Yun, Huang Ya-Li, Cao Jiang-Li.First-principles calculation for hydrogen-doped hematite. Acta Physica Sinica, 2015, 64(11): 116301.doi:10.7498/aps.64.116301 |
[14] |
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 |
[15] |
Luo Qiang, Tang Bin, Zhang Zhi, Ran Zeng-Ling.First principles calculation of adsorption for H2S on Fe(100) surface. Acta Physica Sinica, 2013, 62(7): 077101.doi:10.7498/aps.62.077101 |
[16] |
Fang Cai-Hong, Shang Jia-Xiang, Liu Zeng-Hui.Oxygen adsorption on Nb(110) surface by first-principles calculation. Acta Physica Sinica, 2012, 61(4): 047101.doi:10.7498/aps.61.047101 |
[17] |
Qin Jun-Rui, Chen Shu-Ming, Zhang Chao, Chen Jian-Jun, Liang Bin, Liu Bi-Wei.First-principles study of adsorption effect of A-Z-A graphene nanoribbons field effect transistor. Acta Physica Sinica, 2012, 61(2): 023102.doi:10.7498/aps.61.023102 |
[18] |
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 |
[19] |
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 |
[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 |