Structure of silicate glasses and melts at high pressure: quantum chemical calculations and solid-state NMR

Article Abstract:

Multinuclear solid-state NMR and quantum chemical calculations are used to study the structures of silicate glasses quenched from melts at pressures up to 10 GPa in a multianvil apparatus. The pressure-induced changes in atomic configurations in the silicate melts include the formation of highly coordinated framework units such as Al and Si and bridging oxygens linking these frameworks units and the presence of non-bridging oxygens coordinated by network-modifying cations and Si.

Nuclear magnetic resonance, Melting points, Melting, Structure

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Role of Si=O in the Photoluminescence of Porous Silicon

Article Abstract:

A study is conducted to show that the hydrated silanone bond is less stable than the hydroxylated Si(OH)2 surface species by using quantum chemistry calculations and molecular clusters to simulate the oxygen exposed porous silicon(PS) surface. The findings indicate that the origin of the red PL for oxygen-exposed Ps first involves the conversion of hydroxylated Si species.

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Photoluminescence study of the introduction of V in Si-MCM-41: role of surface defects and their associated SiO(super -) and SiOH groups

Article Abstract:

The photoluminescence measurements on siliceous and vanadium loaded mesoporous molecular sieves (MCM-41) are reported. This is done to receive information about the defects in the materials used.

Primary Smelting and Refining of Nonferrous Metal (except Copper and Aluminum), Uranium-radium-vanadium ores, Vanadium, Optical properties, Chemistry, Physical and theoretical, Physical chemistry, Photoluminescence

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