,A Potential Hydrogen-Storage Media: C2H4 and C5H5 Molecules Doped with Rare Earth Atoms

来源 :中国物理快报(英文版) | 被引量 : 0次 | 上传用户:lzs
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
Using first-principles calculations,we predict that a single C2H4 or C5H5 molecule can form a stable complex with two rare earth metals such as La,Eu,and Ho.The La2C2H4 complex then absorbs up to sixteen hydrogen molecules,reaching a gravimetric storage capacity of 9.5wt% by adding a rare-earth metal atom,The results show that Eu-4f electrons have little impact on the hydrogen adsorption.The nature of bonding between Eu and H2 is due to the hybridization of Eu-5d with the H-1s orbital.
其他文献
期刊
作者研究了二氧化锡的气敏光反射特性,测量了它在乙醇,氨,丙酮气体中的浓度与气敏反射光谱关系,发现它对氨气的气敏光谱波长灵敏范围最大,而且不同波长有不同的灵敏度。解释S
We consider a Langevin equation of active Brownian motion which contains a multiplicative as well as an additive noise term.We study the dependences of the effe
期刊
The negativity (N) as a measure of thermal entanglement (TE) is studied for a two-qutrit spin-1 anisotropic Heisenberg XXZ chain with Dzyaloshinskii-Moriya (DM)
期刊
Similar to the bosonization method in one dimension,we divide the electron operators in phase space into two component operators,and study three-dimensional hom
期刊
期刊
自七十年代以来,国内外突变育种迅速发展,取得了显著成就.据国际原子能机构(IAEA)1985年统计,目前世界上利用诱发突变育成了88种植物的突变品种约700个.我国植物突变育种,表
期刊
A 1.56 μm passively mode-locked laser diode with a two-section tensile strained multi-quantum-well structure is fabricated.Without any exteal pulse compression
期刊
期刊