Acta Physica Sinica
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Acta Phys. Sin.  2010, Vol. 59 Issue (10): 7452.     DOI: 10.7498/aps.59.7452
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Spatial configurations and X-ray absorption of Ti catalyzing on NaAlH4 surfaces: Car-Parrinello molecular dynamics and density functional theory study
Gao Tao1, Zhou Jing-Jing2, Chen Yun-Gui2, Wu Chao-Ling2, Xiao Yan2
(1)Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China; (2)School of Materials Science and Engineering, Sichuan University, Chengdu 610065, China

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