The heteronuclear [Na(2)Cu(4)(bemp)(2)(OH)(2)(NO(3))(2)(OH(2))(4)] x 5 H(2)O (1 x 5H(2)O; H(3)bemp: 2,6-bis-[(2-hydroxyethylimino)-methyl]-4-methyl-phenol) cluster has been synthesized in aqueous-methanol at room temperature and structurally characterized. The water soluble complex is obtained from the template assembly of two [Cu(2)(bemp)(OH)] neutral fragments through their weak oxophillic in...

In situ measurements of plasma properties during gas-condensation of Cu nanoparticles" (2016). Since the mean, standard deviation, and modality of nanoparticle size distributions can vary greatly between similar input conditions (e.g., power and gas flow rate), plasma diagnostics were carried out in situ using a double-sided, planar Langmuir probe to determine the effect the plasma has on the h...

We report an ab initio study of the Kondo states formed from a Co adatom on Cu(111) and Cu(100). The model consists of a CoCun cluster ( n = 5-19) embedded in (111) and (100) Cu slabs. An embedding potential derived from density functional theory treats the interaction between the periodic crystal surroundings and the CoCun cluster, while strong electron correlations within CoCun are explicitly...

We derive a consistent approach for predicting the solvation free energies of charged solutes in the presence of implicit and explicit solvents. We find that some published methodologies make systematic errors in the computed free energies because of the incorrect accounting of the standard state corrections for water molecules or water clusters present in the thermodynamic cycle. This problem ...

We report on the synthesis of novel coinage metal NHC (N-heterocyclic carbene) compounds of the germanium-rich metalloid clusters [Ge9R3] and [Ge9R2] with R = Si(Pr)3 and RI = Si(TMS)3. NHCCu{η-Ge9R3} with R = Si(Pr)3 (1) represents a less bulky silyl group-substituted derivative of the known analogous compounds with R = Si(Bu)3 or Si(TMS)3. The coordination of the [NHCDippCu]+ moiety to the cl...

the aim of this research is to calculate the elastic constants and bulk modulus of cu-20 wt% ni random nanoalloy. the molecular dynamics simulation technique was used to calculate the mechanical properties in npt ensemble. the interaction between atoms as well as cohesive energy in the nanoalloy modeled systems was calculated by morse et al. two body potential. also the temperature of the syste...

I have used low-temperature scanning tunneling microscopy to investigate cluster diffusion phenomena in both the early stages of nucleation and growth and the late stages for a highly mismatched system, Cu on Ag(111). In particular, activation energies and prefactors for cluster diffusion are measured directly by tracking cluster motion with atomic precision at multiple temperatures to determin...

Pathogenic bacteria have evolved copper homeostasis and resistance systems for fighting copper toxicity imposed by the human immune system. Streptococcus pneumoniae is a respiratory pathogen that encodes an obligatorily membrane-anchored Cu(i) binding protein, CupA, and a P1B-type ATPase efflux transporter, CopA. The soluble, cytoplasmic domain of CupA (sCupA) contains a binuclear Cu(i) cluster...

In this study, nano-sized fullerene C60 powder was sufficiently mixed with Cu₂SnSe₃ powder by ball milling method, and the C60/Cu₂SnSe₃ composites were prepared by spark plasma sintering technology. The fullerene C60 distributed uniformly in the form of clusters, and the average cluster size was less than 1 μm. With increasing C60 content, the electrical conductivity of C60/Cu₂SnSe₃ composites ...

The title complex, [Cu(3)WBrOS(3)(C(18)H(15)P)(3)], a neutral heavily distorted cubane-like W/S/Cu cluster, was self-assembled from ammonium trithio-tungstate(VI), cuprous bromide and triphenyl-phosphane in N,N-dimethyl-formamide. The average Cu-Br, Cu-S and W-μ(3)-S bond lengths are 2.731 (2), 2.318 (2) and 2.256 (2) Å, respectively, in the distorted cubane-like skeleton. The W atom exhibits t...