Density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations are carried out to study the stabilities, photoelectron, infrared, Raman and electronic absorption spectra of borospherene B44- and metalloborospherenes MB440/- (M = Li, Na, and K). It is found that all atoms can form stable exohedral metalloborospherenes M&B440/-, whereas only Na and K atoms can ...

Co-deposition of zinc metal matrix with ZnO composite was fabricated from electrolytic chloride based coating consisting of 20-40g/L ZnO particle. The resulting composite coatings were characterized using high optic microscope (OPM). The corrosion resistance properties of Zn-ZnO composite coatings were measure using linear polarization in 3.5% NaCl solution. The variation of amount of ZnO %wt. ...

Metal matrix composites reinforced by nano-particles are very promising materials, suitable for a large number of applications. These composites consist of a metal matrix filled with nano-particles featuring physical and mechanical properties very different from those of the matrix. The nano-particles can improve the base material in terms of wear resistance, damping properties and mechanical s...

METAL CHALCOGENIDE NANOPARTICLE GEL NETWORKS: THEIRFROMATION MECHANISM AND APPLICATION FOR NOVEL MATERIALGENERATION AND HEAVY METAL REMEDIATION VIA CATIONEXCHANGE REACTIONSby IRINA R. PALAMay 2012Advisor: Dr. Stephanie L. BrockMajor: ChemistryDegree: Doctor of PhilosophyThe dissertation research is focused on (1) uncovering the mechanism of metalchalc...

Transition metal hexacyanocobaltates are porous materials with open metal sites and a wide variety of pores. In this work, manganese(II) and cobalt(II) hexacyanocobaltates(III) have been selected to explore the interactions between the open metal sites located in their pores and the guest molecules: hydrogen, carbon dioxide, water and methanol. An experimental setup was designed and implemented...

Multi-walled carbon nanotubes (MWCNTs) and graphenes have been taken for novel reinforcements due to their unique structure and performance. However, MWCNTs or graphenes reinforced copper matrix composites could not catch up with ideal value due to reinforcement dispersion in metal matrix, wettability to metal matrix, and composite material interface. Taking advantage of the superior properties...

BlastAlloy 160 (BA160) is a low-carbon martensitic steel strengthened by copper and M2C precipitates. Heat-affected zone (HAZ) microstructure evaluation of BA160 exhibited softening in samples subjected to the coarse-grained HAZ thermal simulations of this steel. This softening is partially attributed to dissolution of copper precipitates and metal carbides. After subjecting these coarse-graine...