| Theoretical study of adsorption of water vapor on surface of metallic uranium |
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| 引用本文： | XIONG Bi-tao,MENG Da-qiao,XUE Wei-dong,ZHU Zheng-he,JIANG Gang,WANG Hong-yan,GAO Tao. Theoretical study of adsorption of water vapor on surface of metallic uranium[J]. 原子与分子物理学报, 2002, 19(4): 517-521 |
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| 作者姓名： | XIONG Bi-tao MENG Da-qiao XUE Wei-dong ZHU Zheng-he JIANG Gang WANG Hong-yan GAO Tao |
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| 作者单位： | China Academy of Engineering Physics, Mianyang 621900;China Academy of Engineering Physics, Mianyang 621900;Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065;Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065;Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065;Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065;Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065 |
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| 摘 要： | Ｉｔｉｓｗｅｌｌｋｎｏｗｎｔｈａｔｕｒａｎｉｕｍｉｓｅａｓｙｔｏｒｅａｃｔｗｉｔｈｏｘｙｇｅｎａｎｄｗａｔｅｒｖａｐｏｒｉｎａｉｒｆｏｒｉｔｓｃｈｅｍｉｃａｌａｃｔｉｖｉｔｉｅｓ .Ｅｘｔｅｎｓｉｖｅｓｔｕｄｉｅｓａｎｄｒｅｖｉｅｗｓｏｆｕｒａｎｉｕｍ ｗａ
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| 关 键 词： | 铀 吸收 密度泛函理论 水蒸汽 DFT |
| 收稿时间： | 2002-05-14 |
Theoretical study of adsorption of water vapor on surface of metallic uranium |
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| XIONG Bi-tao,MENG Da-qiao,XUE Wei-dong,ZHU Zheng-he,JIANG Gang,WANG Hong-yan,GAO Tao. Theoretical study of adsorption of water vapor on surface of metallic uranium[J]. Journal of Atomic and Molecular Physics, 2002, 19(4): 517-521 |
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| Authors: | XIONG Bi-tao MENG Da-qiao XUE Wei-dong ZHU Zheng-he JIANG Gang WANG Hong-yan GAO Tao |
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| Affiliation: | 1. China Academy of Engineering Physics, Mianyang 621900
2. Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065 |
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| Abstract: | According to the experimental data, there is an intermediate substance that formed in the initial stage of oxidation reaction when water vapor is absorbed onto the metallic uranium. The minimum energy of UOH2 wich C2v configuration is obtained in the stat |
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| Keywords: | Water vapor Adsorption Uranium Density function theory (DFT) |
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