Graphene layers on Si-face and C-face surfaces and interaction with Si and C atoms in layer controll

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户:ythsl761208
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
  It is important to understand the interface and interaction between graphene layers and SiC surfaces as well as interaction of key intermediate Si and C atoms with these surfaces and interfaces in epitaxial graphene growth on SiC substrate.
其他文献
  Seven hydrophilic/hydrophobic cyclic peptide nanotubes(CPNTs)were constructed from nine kinds of amino acids,i.e.,Ala(A),Leu(L),Val(V),Ile(I),Trp(W),Gln(Q),
会议
  The iron(Ⅲ)-iodosylbenzene complex [FeⅢ(tpena)(PhIO)]2+(1)is revealed by DFT calculat ions to chameleonically convert either to a masked hypervalent FeV–
会议
  Bimetallic alloy is more effective than pure metal for controlled growth of high-quality graphene.In this work,we used the DFT-D2 method to study interfacia
会议
  It is important to understand the interface and interaction between TiC layers with SiC layers as well as interaction of graphene layers and TiC(111)/SiC(00
会议
  The pyridine core is an important class of structural unit found in pharmaceutical compounds and functional materials.Transition metal catalysts or organome
会议
  By means of comprehensive density functional theory(DFT)computations,we designed a new two-dimensional(2D)structure of silicon,namely tetra-silicene.In tetr
会议
  Non-platinum(Pt)oxygen reduction reaction(ORR)catalyst with high activity and low cost is one of the prerequisites for commercialization of fuel cells.By me
会议
  We computed the relative energies and binding energies of bulk ice-liquid water systems in the melting process of ice-Ih crystal with the generalized energy
会议
  The generalized energy-based fragmentation(GEBF)method has been applied to investigate relative energies of large water clusters(H2O)n(n=32,64)with the coup
会议
会议