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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,
2024, 73(7): 073101.
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Zhang Jiang-Lin, Wang Zhong-Min, Wang Dian-Hui, Hu Chao-Hao, Wang Feng, Gan Wei-Jiang, Lin Zhen-Kun. First principles study of V/Pd interface interactions and their hydrogen absorption properties. Acta Physica Sinica,
2023, 72(16): 168801.
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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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Qin Wen-Jing, Xu Bo, Sun Bao-Zhen, Liu Gang. First principles study of electrical and magnetic properties of two-dimensional ferromagnetic semiconductors CrI3 adsorbed by atoms. Acta Physica Sinica,
2021, 70(11): 117101.
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Zhang Xiao-Chao, Guan Mei-Hua, Zhang Qi-Rui, Zhang Chang-Ming, Li Rui, Liu Jian-Xin, Wang Ya-Wen, Fan Cai-Mei. First-principles study of single-atom Pt adsorption on BiOBr{001} surface with different atomic exposure terminations. Acta Physica Sinica,
2021, 70(8): 087101.
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Sheng Zhe, Dai Xian-Ying, Miao Dong-Ming, Wu Shu-Jing, Zhao Tian-Long, Hao Yue. First-principles study of hydrogen storage properties of silicene under different Li adsorption components. Acta Physica Sinica,
2018, 67(10): 107103.
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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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Yang Guang-Min, Liang Zhi-Cong, Huang Hai-Hua. The first-principle calculation on the Li cluster adsorbed on graphene. Acta Physica Sinica,
2017, 66(5): 057301.
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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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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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Huang Yan-Ping, Yuan Jian-Mei, Guo Gang, Mao Yu-Liang. First-principles study on saturated adsorption of alkali metal atoms on silicene. Acta Physica Sinica,
2015, 64(1): 013101.
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Tan Xing-Yi, Wang Jia-Heng, Zhu Yi-Yi, Zuo An-You, Jin Ke-Xin. First-principles calculations of phosphorene doped with carbon, oxygen and sulfur. Acta Physica Sinica,
2014, 63(20): 207301.
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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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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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Zhou Long, Li Han, Su Xian-Li, Tang Xin-Feng. Effects of In doping on crystal structure and thermoelectric properties of n-type skutterudites. Acta Physica Sinica,
2010, 59(10): 7219-7224.
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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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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.
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Liu Hui-Ying, Hou Zhu-Feng, Zhu Zi-Zhong, Huang Mei-Chun, Yang Yong. Ab initiocalculation of the voltage profile curve of Li insertions in InSb. Acta Physica Sinica,
2004, 53(11): 3868-3872.
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Liu Hui-Ying, Hou Zhu-Feng, Zhu Zi-Ｚhong, Huang Mei-Ｃhun, Yang Yong. First-principles calculation on the formation energies oflithium insertion in In Sb. Acta Physica Sinica,
2003, 52(7): 1732-1736.
doi: 10.7498/aps.52.1732
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