【摘 要】
：
The oxidative dehydrogenation (ODH) of ethane on nanostrucmred carbon catalyst has been studied by using periodic density functional theory (DFT) calculations.Firstly, the influence from the Van der W
【机 构】
：
Shenyang National Laboratory for Material Science, Institute of Metal Research, Chinese Academy of S
【出 处】
：
第三届纳米化学前沿论坛(Frontiers of Nanochemistry-2013)
论文部分内容阅读
The oxidative dehydrogenation (ODH) of ethane on nanostrucmred carbon catalyst has been studied by using periodic density functional theory (DFT) calculations.Firstly, the influence from the Van der Waals forces is evaluated to be around 0.5 eV for the physisorption of ethane molecule and the distance between the ethane molecule and the catalyst is not significantly changed by including the Van der Waals correction.
其他文献
The marriage of energy transfer with electrochemiluminescence has produced a new technology named electrochemiluminescence energy transfer (ECL-ET), which can realize effective and sensitive detection
Matrix metalloproteinases (MMPs) are a family of secreted zinc-dependent endopeptidases which are crucial for the regulated degradation and processing of extracellular matrices, and are up-regulated i
The variable susceptibility to the tumor necrosis factor-related apoptosis-inducing ligand (TRAIL) treatment observed in various types of leukemia cells is related to the difference in the expression
Nanostructures of one-dimensional (1 D) conducting polymers have attracted great attention due to their unique electronic, optical and chemical properties.[1,2] Poly (3,4-ethylenedioxythiophene) (PEDO
Transient absorption microscopy (TAM), combing high spatial resolution and femtosecond temporal resolution, is an extremely flexible and sensitive technique, allowing the detection of single semicondu
Homogeneous assemblies of the model peptides at interfaces have been achieved and observed with scanning tunneling microscopy.The dependence of the observed brightness in STM images is analyzed and th
Watching dynamical transformation of microscopic structures at nanometre-scale in liquid environment is of great importance for many studies.The development of liquid flow holder incorporated within a
A coaxial electrospinning process was carried out to prepare core-sheath nanofibers (Fig.1 A to D).Both the sheath and core fluids were electrospinnable.The former consisted of 10％ (w/v)polyvinylpyrro
Recent advances in the construction of environmental cells for transmission electron microscope have enabled directly observing the dynamic process in liquid, including electrochemical reactions[i], n
Due to their novel electronic properties, graphene antidot lattices (GALs) have attracted intense interest recently.However, how to evaluate opening or closing of the bandgap of different GALs is a bi