Water clusters on Cu(110): chain versus cyclic structures.

نویسندگان

  • T Kumagai
  • H Okuyama
  • S Hatta
  • T Aruga
  • I Hamada
چکیده

Water clusters are assembled and imaged on Cu(110) by using a scanning tunneling microscope. Water molecules are arranged along the Cu row to form "ferroelectric" zigzag chains of trimer to hexamer. The trimer prefers the chain form to a cyclic one in spite of the reduced number of hydrogen bonds, highlighting the crucial role of the water-substrate interaction in the clustering of adsorbed water molecules. On the other hand, the cyclic form with maximal hydrogen bonds becomes more favorable for the tetramer, indicating the crossover from chain to cyclic configurations as the constituent number increases.

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

The adsorption of Cu on the CeO2(110) surface.

We report a detailed density functional theory (DFT) study in conjunction with extended X-ray absorption fine structure (EXAFS) experiments on the geometrical and local electronic properties of Cu adatoms and Cu(ii) ions in presence of water molecules and of CuO nanoclusters on the CeO2(110) surface. Our study of (CuO)n(=1,2&4) clusters on CeO2(110) shows that based on the Cu-O environment, the...

متن کامل

The role of van der Waals forces in water adsorption on metals.

The interaction of water molecules with metal surfaces is typically weak and as a result van der Waals (vdW) forces can be expected to be of importance. Here we account for the systematic poor treatment of vdW forces in most popular density functional theory exchange-correlation functionals by applying accurate non-local vdW density functionals. We have computed the adsorption of a variety of e...

متن کامل

Theoretical Study of OH Adsorption on ‎PdxCu3-x (x = 0-3) Nano Clusters‎

   Adsorption of OH on the PdxCu3-x(x=0-3) small clusters is investigated by density functional theory calculations. It is found that OH adsorbs in three possible modes including on top, bridge and hollow sites while the structures where OH bridges between two atoms are the most stable structures. The Pd-Pd, Pd-Cu and Cu-Cu equilibrium distances for most of the systems...

متن کامل

Anisotropic water chain growth on Cu(110) observed with scanning tunneling microscopy.

We report a novel structure of water aggregate by means of scanning tunneling microscopy. Water molecules are self-assembled into one-dimensional chains on Cu(110) at 78 K. The chain exhibits a zigzag structure with a period of 7.2 A and grows to a length of approximately 1000 A. We propose that water hexamers are arranged alternately along the chain. Interchain repulsion due to dipole interact...

متن کامل

Electric field effects on water clusters (n = 3-5): systematic ab initio study of structures, energetics, and transition states.

The structures, energetics, and transition states of water clusters (trimer to pentamer, n = 3-5) are investigated as a function of electric field by using ab initio calculations. With an increasing strength of the field, the most stable cyclic structures of trimer, tetramer, and pentamer open up to align their dipole moments along the direction of the field. For the lower strength (below 0.3 V...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

عنوان ژورنال:
  • The Journal of chemical physics

دوره 134 2  شماره 

صفحات  -

تاریخ انتشار 2011