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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,
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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.
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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.
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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.
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Chen Jian, Xiong Kang-Lin, Feng Jia-Gui. Adsorption of CoPc molecules on silicene surface. Acta Physica Sinica,
2022, 71(4): 040501.
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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.
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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.
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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.
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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.
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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.
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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.
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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.
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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.
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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.
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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.
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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.
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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.
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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.
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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.
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