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Dong Xiao.Density functional theory on reaction mechanism between p-doped LiNH2clusters and LiH and a new hydrogen storage and desorption mechanism. Acta Physica Sinica, 2023, 72(15): 153101.doi:10.7498/aps.72.20230374 |
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Zhang Chen-Jun, Wang Yang-Li, Chen Chao-Kang.Density functional theory of InCn+(n=110) clusters. Acta Physica Sinica, 2018, 67(11): 113101.doi:10.7498/aps.67.20172662 |
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Jiang Ping-Guo, Wang Zheng-Bing, Yan Yong-Bo, Liu Wen-Jie.First-principles study of absorption mechanism of hydrogen on W20O58 (010) surface. Acta Physica Sinica, 2017, 66(24): 246801.doi:10.7498/aps.66.246801 |
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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.doi:10.7498/aps.66.086801 |
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Qi Peng-Tang, Chen Hong-Shan.Hydrogen storage properties of Li-decorated C24 clusters. Acta Physica Sinica, 2015, 64(23): 238102.doi:10.7498/aps.64.238102 |
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Lü Jin, Yang Li-Jun, Wang Yan-Fang, Ma Wen-Jin.Density functional theory study of structure characteristics and stabilities of Al2Sn(n=2-10) clusters. Acta Physica Sinica, 2014, 63(16): 163601.doi:10.7498/aps.63.163601 |
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Wen Jun-Qing, Zhang Jian-Min, Yao Pan, Zhou Hong, Wang Jun-Fei.A density functional theory study of small bimetallic PdnAl (n =18) clusters. Acta Physica Sinica, 2014, 63(11): 113101.doi:10.7498/aps.63.113101 |
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Wen Jun-Qing, Xia Tao, Wang Jun-Fei.A density functional theory study of small bimetallic PtnAl (n=18) clusters. Acta Physica Sinica, 2014, 63(2): 023103.doi:10.7498/aps.63.023103 |
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Ruan Wen, Luo Wen-Lang, Yu Xiao-Guang, Xie An-Dong, Wu Dong-Lan.Hydrogen storage capacity of lithium decorated B6 cluster. Acta Physica Sinica, 2013, 62(5): 053103.doi:10.7498/aps.62.053103 |
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Zhang Bei, Bao An, Chen Chu, Zhang Jun.Density-functional theory study of ConCm (n=15, m=1,2) clusters. Acta Physica Sinica, 2012, 61(15): 153601.doi:10.7498/aps.61.153601 |
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Zhang Zhi-Long, Chen Yu-Hong, Ren Bao-Xing, Zhang Cai-Rong, Du Rui, Wang Wei-Chao.Density functional theory study on the structure and properties of (HMgN3)n(n=15) clusters. Acta Physica Sinica, 2011, 60(12): 123601.doi:10.7498/aps.60.123601 |
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Sun Lu-Shi, Zhang An-Chao, Xiang Jun, Guo Pei-Hong, Liu Zhi-Chao, Su Sheng.Density functional study of interation of Hg with small gold clusters. Acta Physica Sinica, 2011, 60(7): 073103.doi:10.7498/aps.60.073103 |
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Jin Rong, Chen Xiao-Hong.Structure and properties of ZrnPd clusters by density-functional theory. Acta Physica Sinica, 2010, 59(10): 6955-6962.doi:10.7498/aps.59.6955 |
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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 |
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Li Xi-Bo, Wang Hong-Yan, Luo Jiang-Shan, Wu Wei-Dong, Tang Yong-Jian.Density functional theory study of the geometry, stability and electronic properties of ScnO(n=1—9) clusters. Acta Physica Sinica, 2009, 58(9): 6134-6140.doi:10.7498/aps.58.6134 |
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Yang Pei-Fang, Hu Juan-Mei, Teng Bo-Tao, Wu Feng-Min, Jiang Shi-Yu.Density functional theory study of rhodium adsorption on single-wall carbon nanotubes. Acta Physica Sinica, 2009, 58(5): 3331-3337.doi:10.7498/aps.58.3331 |
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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 |
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Chen Yu-Hong, Kang Long, Zhang Cai-Rong, Luo Yong-Chun, Ma Jun.Density functional theory study of ［Mg(NH2)2］n(n=1—5) clusters. Acta Physica Sinica, 2008, 57(8): 4866-4874.doi:10.7498/aps.57.4866 |
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Chen Yu-Hong, Zhang Cai-Rong, Ma Jun.Density functional theory study on the structure and properties of MgmBn(m=1,2;n=1—4) clusters. Acta Physica Sinica, 2006, 55(1): 171-178.doi:10.7498/aps.55.171 |
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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 |
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