Adsorption Site and State of Nitrogen Atom on Ru(0001), (10(1-)0) Low-index and (11(2-)0), (11(2-)1)

来源 :高等学校化学研究(英文版) | 被引量 : 0次 | 上传用户:dh5601
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
The adsorptions of nitrogen atoms on Ru(0001), (10(1-)0) low index surfaces and (11(2-)0), (11(2-)1) stepped surfaces were investigated by the five-parameter Morse potential(5-MP) method in details. Calculated results demonstrate that N atoms show a tendency to be adsorbed at threefold sites. No subsurface state was found for N atoms on Ru(10(2-)0) surface. There exist 6 stable adsorption sites for N atoms on Ru(11(2-)1) stepped surface which can be classified into 3 types: the on-surface adsorption state, the facet adsorption state and the subsurface state. Moreover, two new perpendicular vibrations at 97 and 98 meV are predicted. All calculated results are in good accord with HR-EELS experiments.
其他文献
主讲:许志锋中学高级教师,台州市教学能手,拥有20余年高三教学经验,参加过“国家级骨干教师”培训并被授予合格证书.
“我不想我不想不想长大,长大后世界就没童话……”当“六一”看上去已经不是你的节日,你会有这样的感觉吗?我们之所以怀念童年,是不是因为越长大,看到的世界就越不像童话里
在基本的光线投射算法基础上,提出一种简单灵活的体绘制框架。该框架根据现有的标准和非标准的体绘制技术,在保证渲染质量和易交互性的前提下,实现了多个不同的着色器程序,包括最
Vascular plants possess an enzyme system that detoxifies cyanide by converting it to the amino acid asparagine. Hybrid willows (Salix matsudana Koidz×Salix alb
In a computational grid,jobs must adapt to the dynamically changing heterogeneous environment with an objective of maintaining the quality of service.In order t
A new mononuclear Cu(Ⅱ) dithiocarbamate complex CuI(prdtc)(phen) 1 (prdtc = N-pyrrolidinyldithiocarbamate, phen = 1,10-phenanthroline) was synthesized and char
High performance computer(HPC)is a complex huge system,of which the architecture design meets increasing difficulties and risks.Traditional methods,such as theo
A novel proton exchange membrane(PEM)was designed and prepared from a polymer containing calix[4]arene as the functional unit to transport proton.The proton-con
Peer-to-Peer Desktop Grid(P2PDG)has emerged as a pervasive cyber-infrastructure tackling many largescale applications with high impacts.As a burgeoning research
The title complexes [Dy(p-NBA)_3Phen]_2·3H_2O(I) and [Dy(m-NBA)_3Phen]_2·4H_2O(Ⅱ) were synthesized, in the two molecular formulas of which NBA is nitrobenzoa