Why urea eliminates ammonia rather than hydrolyzes in aqueous solution

Article Abstract:

An ab initio study, in combination with a joint QM/MM Monte Carlo simulations is used to observe the decomposition of urea in the gas phase and in the aqueous solution, wherein it helps in the elimination of ammonia instead of hydrolyzing in the aqueous solution. The analysis reveals that the destruction of urea's resonance stabilization during hydrolysis through an addition/elimination mechanism, in addition to its preservation to give another intermediate, is the main factor affecting the observed phenomenon.

Urea, Usage, Observations, Monte Carlo method, Monte Carlo methods

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DFT characterization of adsorbed NH, species on Pt(100) and Pt(111) surfaces

Article Abstract:

Periodic density functional theory (DFT) calculations using plane waves are performed to investigate adsorption and relative stability of ammonia and its dehydrogenated species on Pt(111) and (Pt100) surfaces. The remarkably lower adsorption energy of NH(sub 2) over Pt(111) as compared with Pt(100) is related to different geometric and electronic factors associated with this particular intermediate.

Adsorption, Density functionals, Density functional theory, Platinum compounds

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Controlled growth of well-aligned ZnO nanorod array using a novel solution method

Article Abstract:

A novel ammonia aqueous solution method for growing well-aligned ZnO nanorod arrays on a silicon substrate is developed. Uniform ZnO nanorods were grown on the zinc-coated silicon substrate in aqueous solution containing zinc nitrate and ammonia water.

Optical properties, Zinc oxide

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