论文部分内容阅读
CeO2催化剂的硫化和硫中毒机理研究
【机 构】
:
河南师范大学物理与信息工程学院,河南省新乡市 453007 Materials Chemistry
【出 处】
:
中国物理学会2011年秋季学术会议
【发表日期】
:
2011年9期
其他文献
Graphene Exfoiliation and the Interaction between HCl and Nanotubes: a firstprinciples investigation
会议
We present a systematic spectroscopic study on the interfaces between the organic molecular semiconductor and the (110) phase of the doped polysilicon carried out using valence and core-level photoemi
First-principles Study of the Electronic Transport Properties of Edge-modified Symmetric and Asymmet
The electronic transport properties of the symmetric and asymmetric zigzag graphene nanoribbons based nanostructures whose edges are modified by the triangle uplifts are studied by using the first-pri
金团簇被用于催化反应,其激发态的研究也被广泛关注,我们希望能找到控制其激发态来为它的催化反应提供新的途径.通过使用第一性原理方法,来计算MgO/Ag(001)衬底上的Au8 及金薄膜,研究表面对于金团簇的影响.
会议
当薄膜厚度远小于光学波长时,由于薄膜的表面效应,薄膜的光学常数不仅具有波长色散关系,而且随薄膜厚度改变.对于不同厚度的薄膜,同一波长也会具有不同光学常数.
Graphene存在着各种类型的缺陷[1-4],实验观测到Ni(111)表面的Graphene产生5-8线性拓扑缺陷结构的晶界,并且晶界表现出金属线的特性[5].我们采用分子动力学模拟方法研究了Graphene在Ni(111)表面的生长行为,Graphene在Ni(111)表面表现出Top-Hcp、Top-Fcc和Hcp-Fcc三种典型原子占位结构,其结构稳定性以Top-Fcc最好,Top-Fcc
Alkanethiol self-assembled monolayers (SAMs) have been attracted considerately attentions during last two decades due to its easy preparation and highly ordered 2D structure.Despite its simplicity and
Bi2Se3-type materials are second generation topological insulators (TIs),featuring single Dirac cone at the Γ point[1-4].Sb2Se3 is of the same structure as Bi2Se3 but behaves as a normal insulator(NI)