Adsorption of Trinitrotoluene on a MgO(001) Surface Including Surface Relaxation Effects
نویسندگان
چکیده
منابع مشابه
Vibration of Piezoelectric Nanowires Including Surface Effects
In this paper, surface and piezoelectric effects on the vibration behavior of nanowires (NWs) are investigated by using a Timoshenko beam model. The electric field equations and the governing equations of motion for the piezoelectric NWs are derived with the consideration of surface effects. By the exact solution of the governing equations, an expression for the natural frequencies of NWs with ...
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Density functional theory (DFT) calculations were performed to investigate adsorptions of vitamin C (Vit) on the surface a fullerene structure (Ful) in gaseous and water–solvated systems. Two models of Vit including OVit and MVit were created based on the original structure of Vit for OVit and methylation of all hydroxyl groups for MVit. All singular and hybrid structures were optimized and the...
متن کاملvibration of piezoelectric nanowires including surface effects
in this paper, surface and piezoelectric effects on the vibration behavior of nanowires (nws) are investigated by using a timoshenko beam model. the electric field equations and the governing equations of motion for the piezoelectric nws are derived with the consideration of surface effects. by the exact solution of the governing equations, an expression for the natural frequencies of nws with ...
متن کاملSurface adsorption and electrochemical reduction of 2,4,6-trinitrotoluene on vanadium dioxide.
The electrochemical reduction of 2,4,6-trinitrotoluene (TNT) was investigated using films of vanadium dioxide. Three distinct reduction peaks were observed in the potential range of -0.50 to -0.90 V (vs an Ag/AgCl reference electrode), corresponding to the electrochemical reduction of the three nitro-groups on the TNT molecule. Adsorptive stripping voltammetry was performed to achieve detection...
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Multi-Walled Carbon Nanotubes (MWCNTs) surfaces were serially modified by the annealing treatment under Helium flow at 1000oC, the nitric acid treatment and again the annealing treatment under same conditions and their maximum adsorption capacities for benzene and toluene were measured and analyzed. The unmodified and modified MWCNTs werecharacterized by Fourier Tr...
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ژورنال
عنوان ژورنال: Journal of Chemistry
سال: 2013
ISSN: 2090-9063,2090-9071
DOI: 10.1155/2013/359202