Sharif Digital Repository

In present research forming process of nanopowders, which is a part of powder metallurgy was investigated by molecular dynamics method. Powder metallurgy is a relatively new method for production of industrial parts by pouring powder into die and compaction to desired density. One can reach parts with higher quality and strength by decreasing size of powder’s particles and entering the nano scale. Particle with smaller size have higher specific surface and due more intensity to react. Classic methods for investigation of this process don’t cover the atomic scale effects, so using newer procedures such as molecular dynamics is highly recommended. In present research, at first compaction of... 

In this research, a new group of N2O2–azacrown macrocyclic ligands with different macroring size from 15 to 18 was synthesized using one-pot facile and high yield reaction. The products were characterized applying FT-IR, 1H and 13C NMR spectroscopies as well as elemental analysis. The single crystal structure of 18-membered macrocyclic ligand was also determined by x-ray crystallography. The crystallographic data showed such strong inter-molecular hydrogen bonding which excluded their nitrogen-donor groups, and initial investigation with UV-Vis spectroscopy shows no intraction with [60]fullerene, despite of presence of these interacrtions in their parent macrocycles. The result of Job’s... 

The sluggish kinetics of oxygen evolution and reduction on the surface of electrodes is a major problem for the widespread use of devices that are based on sustainable, renewable and clean technologies, such as fuel cells and metal–air batteries. Therefore, the development of efficient and cost–effective materials for the oxygen evolution (OER: Oxygen Evolution Reaction) and reduction reactions (ORR: Oxygen Reduction Reaction) is highly desirable. In recent years, Metal–organic frameworks (MOFs) and their derivatives, have drawn considerable attention as potential catalysts and electrocatalyst due to their high surface area and porous structure. In this study, cerium (IV) oxide was... 

The sluggish kinetics of oxygen evolution and reduction on the surface of electrodes is a major problem for the widespread use of devices that are based on sustainable, renewable and clean technologies, such as fuel cells and metal–air batteries. Therefore, the development of efficient and cost–effective materials for the oxygen evolution (OER: Oxygen Evolution Reaction) and reduction reactions (ORR: Oxygen Reduction Reaction) is highly desirable. In recent years, Metal–organic frameworks (MOFs) and their derivatives, have drawn considerable attention as potential catalysts and electrocatalyst due to their high surface area and porous structure. In this study, cerium (IV) oxide was...