【摘 要】
:
In spite of the fact that both elemental gold and hydrogen have a half-filled valence s-orbital, their chemistries are very different.However, using density functional theory, we show that both Au and
【机 构】
:
Center for Applied Physics and Thechnology, Peking University, Beijing 100871,china
【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
In spite of the fact that both elemental gold and hydrogen have a half-filled valence s-orbital, their chemistries are very different.However, using density functional theory, we show that both Au and H share common chemistry when interacting with A1 as well as halogen atoms.
其他文献
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
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
The recent success in synthesizing graphene monoxide (GMO) with rigorous stoichiometric ratio C∶O =1∶1 has highlighted the need to determine its ground state geometry and to explore its physical prope
As an inorganic cousin of graphene, MoS2 monolayer has attracted considerable attention.However, a full understanding of its structure and stability is still lacking due to its dependence on experimen