Stability of the V and Co atomic wires: a first-principles study.

We employ density-functional theory calculations plus pseudopotentials with the projector-augmented wave method to investigate the structural stability and electromagnetic characteristics of two infinite atomic wires made of vanadium (V) and cobalt (Co). We identify five stable V atomic wires and four stable Co atomic wires. The H structure of the V atomic wire shows semiconductor characteristics, and the other four structures show metallic properties.

sp3-Bonded silicon allotropes based on the Kelvin problem.

The Kelvin problem, how to partition three-dimensional space into cells of equal volume with minimal area, is a fascinating one. Aggregations of bubbles are naturally physical illustrations of the Kelvin problem. And the superconductor Na8Si46 as an inspiration leads to an amazing discovery of the Weaire-Phelan (WP) structure of foam - the optimal solution to the Kelvin problem to date.

From Kelvin problem to Kelvin carbons.

As children's toys, soap bubbles also underpin many important scientific questions. What is the most efficient structure for foam? - the "Kelvin problem," has been one of the most intriguing science and widely discussed over the past hundred years. Soap bubbles' frameworks have similar topology with sp(3)-bonded carbon or silicon allotropes, e.

The structures and magnetic moments of Co-C clusters.

The geometries, binding energies, and magnetic moments of small CoC(N) (N = 1-8) and CO2C(N) (N = 1-6) clusters are studied systematically using all-electron density functional theory (DFT) with the generalized gradient approximation (GGA). The results indicate that, for the CoC(N) (N = 1-8) and Co2C(N) (N = 1-6) clusters, the lowest-energy structures are predicted to be linear structures except for CoC2 and CoC7. The ground states of the CoC(N) (N = 1-8) clusters are linear geometries (C(v)) with Co atom at one end.

Structures and magnetic properties of Fe(n)B (n =1-12) clusters.

The configurations, electronic structures and magnetic properties of Fe(n)B (n = 1-12) clusters have been calculated within the framework of all-electron density functional theory. The calculated results indicate that the B atom prefers a surface site for all the lowest-energy structures of Fe(n)B with n = 1-9 and 11, while for Fe10B and Fe12B, the B atom is found to occupy a center site forming a B-centered Fe(n) cage. Furthermore, relatively large HOMO-LUMO gaps are found for Fe6B and Fe7B, indicating the chemical inertness of the two isomers.

Au42: a possible ground-state noble metallic nanotube.

A large hollow tubelike Au(42) is predicted as a new ground-state configuration based on the scalar relativistic density functional theory. The shape of this new Au(42) cluster is similar to a (5,5) single-wall gold nanotube, the two ends of which are capped by half of a fullerenelike Au(32). In the same way, a series of Au(n) (n = 37, 42, 47, 52, 57, 62, 67, 72, .

[The effect of puerarin on prevention of oxidative damage of cultured lens capsule epithelial cells].

Objective: To investigate the peroxynitrite damage to the lens epithelial cells (LEC) and the prevention of this damage by puerarin in vitro.

Methods: This paper was experimental study. Rabbit LEC were isolated and cultured and the third or forth passage LEC were used in this experiment The experiment groups included: (1) CONTROL GROUP: Heat-pathogen free saline (NS) 200 microl was added to the medium; (2) ONOO- group: ONOO- 200 microl was added to obtain the terminal concentration at 0.