Gold cluster beyond hollow cage: a double shell structure of Au58.
نویسندگان
چکیده
It is well known that gold cluster can have planar or hollow cagelike structure due to the relativistic effect. In this study, by first principles calculation on the Au(58) cluster, we propose that gold cluster of medium size can form a shell-like structure, which is demonstrated by the remarkable robustness of a double shell structure with a hollow inner shell of ten atoms.
منابع مشابه
Structures and relative stability of neutral gold clusters: Aun (n=15-19).
We performed a global-minimum search for low-lying neutral clusters (Au(n)) in the size range of n=15-19 by means of basin-hopping method coupled with density functional theory calculation. Leading candidates for the lowest-energy clusters are identified, including four for Au(15), two for Au(16), three for Au(17), five for Au(18), and one for Au(19). For Au(15) and Au(16) we find that the shel...
متن کاملYolk @ cage-Shell Hollow Mesoporous Monodispersion Nanospheres of Amorphous Calcium Phosphate for Drug Delivery with High Loading Capacity
In this paper, yolk-shell hollow nanospheres of amorphous calcium phosphate (ACP) are prepared, and its loading capacity is investigated by comparing with that of solid-shell hollow structure ACP and cage-shell hollow structure ACP. Results show that the products are yolk @ cage-shell of ACP with large shell's pores size (15-40 nm) and large cavity volume. Adsorption results show that the loadi...
متن کاملGlobal minimization of gold clusters by combining neural network potentials and the basin-hopping method.
Neural network potentials trained by first-principles density functional theory total energies were applied to search for global minima of gold nanoclusters within the basin-hopping method. Using Au58 as an example, we found a new putative global minimum which has a core-shell structure of Au10@Au48 and C4 symmetry. This new structure of Au58 is 0.24 eV per formula more stable than the best pre...
متن کاملFormation of cage-like hollow spherical silica via a mesoporous structure by calcination of lysozyme-silica hybrid particles.
Calcination of lysozyme-silica hybrid hollow particles gives novel cage-like hollow spherical silicas with differently patterned through-holes on their shell structure.
متن کاملElectronic structure of the hollow-cage MIXIS clusters
The electronic structure of recently discovered hollow-cage molecule T&C,, has been calculated and compared to similarly shaped hypothetical molecules M8Xi2 (M=metal and X= B, C, or N). The cohesion of the cage is related to the o-bonding between M-X arising from d-sp hybridization. It is also shown that the cage can become electronically closed shell with all the valence electrons paired when ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید
ثبت ناماگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید
ورودعنوان ژورنال:
- The Journal of chemical physics
دوره 132 10 شماره
صفحات -
تاریخ انتشار 2010