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Formation Mechanism and Binding Energy for Body-Centred Regular Icosahedral Structure of Li_(13) Cluster 被引量:2
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作者 LIU Wei-Na LI Ping GOU Qing-Quan ZHAO Yan-Ping 《Communications in Theoretical Physics》 SCIE CAS CSCD 2008年第11期1225-1228,共4页
The formation mechanism for the body-centred regular icosahedral structure of Li13 cluster is proposed. The curve of the total energy versus the separation R between the nucleus at the centre and nuclei at the apexes ... The formation mechanism for the body-centred regular icosahedral structure of Li13 cluster is proposed. The curve of the total energy versus the separation R between the nucleus at the centre and nuclei at the apexes for this structure of Li13 has been calculated by using the method of Gou's modified arrangement channel quantum mechanics (MACQM). The result shows that the curve has a minimal energy of-96.951 39 a.u. at R = 5.46ao. When R approaches to infinity, the total energy of thirteen lithium atoms has the value of-96.564 38 a.u. So the binding energy of Lii3 with respect to thirteen lithium atoms is 0.387 01 a.u. Therefore the binding energy per atom for Lii3 is 0.029 77 a.u. or 0.810 eV, which is greater than the binding energy per atom of 0.453 eV for Li2, 0.494 eV for Li3, 0.7878 eV for Li4. 0.632 eV for Lis, and 0.674 eV for Liv calculated by us previously. This means that the Li13 cluster may be formed stably in a body-centred regular icosahedral structure with a greater binding energy. 展开更多
关键词 Li13 cluster formation mechanism binding energy
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Formation Mechanism and Binding Energy for Regular Tetrahedral Structure of Li4
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作者 GOU Qing-Quan YANG Jian-Hui LI Ping 《Communications in Theoretical Physics》 SCIE CAS CSCD 2006年第5X期914-918,共5页
The formation mechanism for the regular tetrahedral structure of Li4 cluster is proposed. The curve of the total energy versus the separation R between the two nuclei has been calculated by using the method of Gou's ... The formation mechanism for the regular tetrahedral structure of Li4 cluster is proposed. The curve of the total energy versus the separation R between the two nuclei has been calculated by using the method of Gou's modified arrangement channel quantum mechanics (MACQM). The result shows that the curve has a minimal energy of-29.8279 a.u. at R = 14.50 ao. When R approaches infinity the total energy of four lithium atoms has the value of-29.7121 a.u. So the binding energy of Li4 with respect to four lithium atoms is the difference of 0.1158 a.u.for the above two energy values. Therefore the binding energy per atom for Lh is 0.020 a.u., or 0.7878 eV, which is greater than the binding energy per atom of 0.453 eV for Li2, the binding energy per atom of 0.494 eV for Lia and the binding energy per atom of 0.632 eV for Li5 calculated previously by us. This means that the Li4 cluster may be formed stably in a regular tetrahedral structure of side length R = 14.50 ao with a greater binding energy. 展开更多
关键词 Li4 cluster formation mechanism binding energy
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Matrix-bound phosphine in Ny-Alesund Area of Arctic
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作者 封颖 Wang Qiang +1 位作者 Yao Ziwei Geng Jinju 《High Technology Letters》 EI CAS 2009年第3期331-336,共6页
Phosphine, a ubiquitous trace gas in the atmosphere, acts as a carrier of gasous phosphorus in the biogeochemical cycle. The research of phosphine will show new light on the mechanisms of how the phos- phorus suppleme... Phosphine, a ubiquitous trace gas in the atmosphere, acts as a carrier of gasous phosphorus in the biogeochemical cycle. The research of phosphine will show new light on the mechanisms of how the phos- phorus supplement influence the biogeochemical cycle and global wanning. In this paper, we detect the phosphine in Arctic Pole area for the first time. The result shows that matrix-bound phosphine(MBP) ex- ists in all the samplings. Phosphine distributions varied with different environmental origins. Average phosphine concentrations in tundra soil, lake sediments, sea sediments, seabird-droppings and deer guanos were 14.17ng/kg dry, 35.44 kg dry, 67.20 kg dry, 32.9 ng/kg dry, and 25.52 ng/kg dry re- spectively. Correlation analysis shows that there is an obviously positive correlation between Porg and MBP. It could be concluded that anaerobic decomposition of Porg and the mechano-chemistry action of the rock probably are the possible reasons explaining the mechanism of MBP production in Arctic Pole area. 展开更多
关键词 matrix-bound phosphine (MBP) Arctic Pole area distribution Porg rock
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中国经济的FDI偏好——克服双重道德风险的创新机制 被引量:2
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作者 梅松 李稻葵 《国际经济合作》 CSSCI 北大核心 2008年第2期9-12,共4页
我国目前已经成为世界上最大的资本输出国之一,但同时每年又吸引着巨额的FDI,这种大进大出的背后反映了怎样一种经济现实,而大规模的吸引FDI又是否值得呢?本文将从体制缺陷的角度出发,对上述问题做出解答。FDI的引入实际上克服了中国传... 我国目前已经成为世界上最大的资本输出国之一,但同时每年又吸引着巨额的FDI,这种大进大出的背后反映了怎样一种经济现实,而大规模的吸引FDI又是否值得呢?本文将从体制缺陷的角度出发,对上述问题做出解答。FDI的引入实际上克服了中国传统体制中内生出的双重道德风险,在一定时期内能够提高社会的整体福利。 展开更多
关键词 外商直接投资(FDI) 双重道德风险 “绑定”机制
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