We investigate the mechanisms of the nonmetal-metal transitions of Se and Te induced by the volume compression both in the solid and liquid states by the density functional method. The volume compression increases the band width and the system transforms from nonmetal to metal phase both in the crystalline Se and Te. When the system has structural disorder, the energy of the anti-bonding level ...

A density functional theory investigation has been presented in this work on M(5)H(5)X hydrometal pentagons (M = Ag, Au, Pd, P) with D(5)(h) planar pentacoordinate nonmetal centers (X = Si, Ge, P, S). The introduction of the nonmetal centers X introduces p aromaticity to M(5)H(5)X complexes. These novel planar complexes are favored in thermodynamics and confirmed to be aromatic in nature. They ...

On April 26, 1996, Public Law 104-134 was Chart 1 .-Payment volume, by type of disbursement, fiscal year 1997 enacted, requiring all Federal payments except tax refunds be issued electronically by January 2, 1999, thus beginning a new era in electronic N Federal tax 10.5% funds transfer (EFT). This legislation, the Debt Collection Improvement Act of 1996-part of the Omnibus Consolidated Resciss...

We have performed quantum molecular dynamics simulations for dense helium to study the nonmetal-to-metal transition at high pressures. We present new results for the equation of state and the Hugoniot curve in the warm dense matter region. The optical conductivity is calculated via the Kubo-Greenwood formula from which the dc conductivity is derived. The nonmetal-to-metal transition is identifi...

Among the nonmetal nitrides, the polymeric binary compounds B N and S i 3 N 4 are o f partic­ ular interest for the development of materials for high-performance applications. The out­ standing features o f both substances are their thermal, mechanical, and chemical stability, coupled with their low density. Because of their extremely low reactivity, boron and silicon nitride are hardly ever us...

Abstract Developing highly efficient and durable electrocatalysts plays a central role in realizing broad range of fuel cell application. Palladium (Pd)-nonmetal nanostructures, as special class Pd-based alloys, have exhibited diversified advantages for reactions. In this minireview, the most recent progress synthesis Pd-nonmetal nanostructures their applications cells are reviewed. First, meri...

Polyethylene wear increasingly has been blamed for osteolysis and granuloma formation after total joint arthroplasty. The authors evaluated the wear difference between bearing surfaces of stainless steel, cobalt chrome, and titanium alloy. They also compared cemented all-polyethylene molded cups with cemented metal-backed molded acetabular cups. These were compared with molded and machined poly...