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 ...

This short dictionary is the first attempt to systematize information about Tuvan names of things and phenomena related geology, mining, resources obtained after processing mineral raw materials. Here we find a very brief Russian-Tuvan geological containing 131 terms, which 49 terms are proposed for use time, including 16 as additional those already available in above dictionaries. In Russian-T...

Detecting spatial carbon inequality is critical to achieving regional emission reduction targets from the perspectives of ensuring equality and efficiency. While previous studies have measured identified its drivers, few explored these drivers at a sectorial level. Taking China’s Yangtze River Economic Belt (YREB) as case study example, this explores sectoral level reveals following key points....

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...

Electrical conductivities are reported for degenerate fluid nitrogen at pressures up to 180 GPa (1.8 Mbar) and temperatures of approximately 7000 K. These extreme quasi-isentropic conditions were achieved with multiple-shock compression generated with a two-stage light-gas gun. Nitrogen undergoes a nonmetal-metal transition at 120 GPa, probably in the monatomic state. These N data and previous ...