Ge and B diffusion was studied in nano-crystalline Si, and Pd and Si self-diffusion was studied in nano-crystalline Pd2Si during and after Pd/Si reactive diffusion. These experiments showed that grain boundary (GB) diffusion kinetic is the same in microand nano-GBs, whereas triple junction (TJ) diffusion is several orders of magnitude faster than GB diffusion. In addition, GB segregation and GB...

The conversion of syngas (CO + H2) to gasoline-ranged hydrocarbons was carried out using a hybrid catalyst consisting of metal-loaded ZSM-5 coupled with Cu-ZnO in a near-critical n-hexane solvent. Methanol was synthesized from syngas over Cu-ZnO; subsequently, was converted to hydrocarbons through the formation of dimethyl ether (DME) over the metal-loaded ZSM-5. When 0.5 wt% Pd/ZSM-5 and 5 wt%...

Gene multiplications or point mutations in alpha (α)-synuclein are associated with familial and sporadic Parkinson's disease (PD). An increase in copper (Cu) levels has been reported in the cerebrospinal fluid and blood of PD patients, while occupational exposure to Cu has been suggested to augment the risk to develop PD. We aimed to elucidate the mechanisms by which α-synuclein and Cu regulate...

Understanding of the defect evolution mechanism under irradiation is very important for research pressure vessel steel embrittlement. In this paper, embedded atom method (EAM) based canonical ensemble molecular dynamics (MD) was used to study stacking structure different nano-sized Cun (n = 13, 43 and 87) clusters in an Febulk with BCC lattice during continuous heating. The mean square displace...

A systematic investigation of the alcoholysis of copper(II) pivalate (piv(-)) solutions has led to a series of Cu(2), Cu(6), and Cu(16) products, depending on the alcohol used as solvent. When Pr(n)OH or Bu(n)OH was employed, the products were the clusters [Cu(16)O(4)(OH)(4)(OR)(8)(piv)(12)(ROH)] (R = Pr(n), Bu(n)) that are almost isostructural. The Cu(16) clusters are antiferromagnetically-cou...

phthalocyanine complexes of cu, co, ni, fe, zn, pd, pt and ru have been synthesized from reaction between phthalonitrile and proper metal salts upon exposure to microwave irradiation under solvent-free conditions and considerably reduced reaction times.

We present the result of a fragment-based energy decomposition analysis on some molecule-surface interactions. The analysis allows us to quantify the Pauli repulsion, its relief, and the attractive orbital interaction energy. In a metal, the existence of incompletely occupied energy bands causes significant relief of the Pauli repulsion due to escape of antibonding electrons to unoccupied state...

In this study, metallic elements that have limited/negligible solubility in pure magnesium (Mg) were incorporated in Mg using the disintegrated melt deposition technique. The metallic elements added include: (i) micron sized titanium (Ti) particulates with negligible solubility; (ii) nano sized copper (Cu) particulates with limited solubility; and (iii) the combination of micro-Ti and nano-Cu. ...

The binary A(8)B phase (prototype Pt(8)Ti) has been experimentally observed in 11 systems. A high-throughput search over all the binary transition intermetallics, however, reveals 59 occurrences of the A(8)B phase: Au(8)Zn(dagger), Cd(8)Sc(dagger), Cu(8)Ni(dagger), Cu(8)Zn(dagger), Hg(8)La, Ir(8)Os(dagger), Ir(8)Re, Ir(8)Ru(dagger), Ir(8)Tc, Ir(8)W(dagger), Nb(8)Os(dagger), Nb(8)Rh(dagger), Nb(...