材料期刊网

Hydrogen Storage of Magnesium-Based Nanocomposites System

X.Yao , C.Z.Wu , H.Wang , H.M.Cheng , G.Q.Max Lu

材料科学技术（英文）

Hydrogen storage in traditional metallic hydrides can deliver about 1.5 to 2.0 wt pct hydrogen but magnesium hydrides can achieve more than 7 wt pct. However, these systems suffer from high temperature release drawback and chemical instability problems. Recently, big improvements of reducing tempera...

关键词: Hydrogen storage , null , null , null , null , null

Electronic and Magnetic Properties Modulated by Adsorption of 3d Transition Metal Atoms in Monolayer and Bilayer MoS2 Sheets

Xue-Qing Wang , Wei-Guang Chen , Zhi-Li Zhu , Yu Jia

金属学报 doi:10.1007/s40195-015-0265-1

关键词:

From atom to monatomic wire：an ab initio study of magnetism in 3d transition metals

金属学报(英文版)

关键词: 过渡金属原子 , 单原子 , 3d , 密度泛函理论 , 广义梯度近似 , 密度范围 , 自旋耦合 , 线性结构

From atom to monatomic wire: an ab initio study of magnetism in 3d transition metals

Zhili ZHU

金属学报(英文版)

A systematic ab initio study on magnetism of the 3d transition metals (TM) from atom to monoatomic wire within density functional theory with generalized gradient approximation (GGA) was performed. The results show that the spin coupling has strong intraatomic exchange strengths about 1 eV ...

关键词: Ab initio study , Magnetism , Transition metal