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Understanding Carbon-monoxide Oxidation Mechanism on Ultrathin Palladium Nanowires:The Density Funct
[会议论文] 作者：Po-Yu Yang,Shin-Pon Ju,Zhu-Min Lai,Jin-Yuan Hsieh,
来源：The 6th International Conference on Nanoscience and Technolo 年份：2015
The CO oxidation mechanism catalyzed by two ultrathin palladium nanowires(PdNWs)was investigated by the density functional theory(DFT)calculation.The models of two PdNWs were constructed on the basis...
[会议论文] 作者：Shin-Pon Ju,Cheng-Tang Pan,Chih-Chao Yang,Chen-Wen Huang,Jian-Ming Lu,
来源：The 6th International Conference on Nanoscience and Technolo 年份：2015
The thermal stabilities of silver nanowires(AgNWs)with the radius ranging from 1.6 to 20 nm were investigated by molecular dynamics(MD)simulations during the temperature elevation process from 0 to 15...
Predicting the mechanical properties of polyethylene/Ag nanoparticle composites by molecular simulat
[会议论文] 作者：Shin-Pon Ju,Yng-Ching Wu,Hui-Lung Chen,Jenn-Sen Lin,Zhe-Wei Shin,
来源：The 6th International Conference on Nanoscience and Technolo 年份：2015
The simulated-annealing basin-hopping(SABH)method[1]implemented into LAMMPS[2](Large-scale Atomic/Molecular Massively Parallel Simulator)has used to constructed the stable structures of polyethylene/A...
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