• Journal of the Korean Chemical Society
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• v.64 no.2
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• pp.61-66
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• 2020

In this study, we investigate the structural and electronic properties of copper oxide clusters, Cu_nO_n (n = 9 - 15). To find the lowest energy structures of copper oxide clusters, we use ReaxFF and density functional theory calculations. We calculate many initial copper oxide clusters using ReaxFF quickly. Then we calculate the lowest energy structures of copper oxide clusters using B3LYP/LANL2DZ model chemistry. We examine the atomization energies per atom, average bond angles, Bader charges, ionization potentials, and electronic affinities of copper oxide clusters. In addition, the second difference in energies is investigated for relative energies of copper oxide clusters.

• Advances in nano research
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• v.4 no.2
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• pp.113-128
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• 2016

Luminescent metallic clusters have attracted great interest due to their unique optical, electronic and chemical features. Comparing with intensively studied Au and Ag Clusters, Cu clusters are superior in the aspects of cost and wide industrial demanding. However, tiny copper clusters are extremely prone to aggregate and undergo susceptibility of oxidation, thereby the synthesis of fluorescent zero valent copper clusters is rather challenging. In this review, synthetic strategies towards luminescent copper clusters, including macromolecule-protection and micro molecule-capping, have been systematically surveyed. Both "bottom-up" and "top-down" synthetic routes are found to be effective in fabricating luminescent copper clusters, some of which are quite stable and possess decent luminescence quantum yields. In general, the synthesis of fluorescent copper clusters remains at its infant stage. A great deal of effort on developing novel and economic synthetic routes to produce bright and stable copper clusters is highly expected in future.

• Transactions on Electrical and Electronic Materials
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• v.4 no.1
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• pp.1-6
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• 2003

We have studied the size confinement effect on the properties of melting-like transition of small icosahedral copper clusters using a classical molecular dynamics simulation based on a well fitted empirical potential. We investigated the caloric curves of icosahedron nanoclusters and the significant depression in the melting temperatures of the copper nanoclusters was compared with that of the bulk copper. A structural transitions from decahedral to icosahedral shapes were shown. As the cluster size increased, the melting temperature increased, and the latent heat increased but seem to be saturated. However, the specific heat was unrelated to the cluster size.

• Advances in materials Research
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• v.1 no.2
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• pp.109-113
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• 2012

Electromigration-induced void evolutions in typical upper and lower layer dual-inlaid Copper (Cu) interconnect structures were simulated by applying a phenomenological model resorting to Monte Carlo based simulations, which considers redistribution of heterogeneously nucleated voids and/or pre-existing vacancy clusters at the Copper/dielectric cap interface during electromigration. The results indicate that this model can qualitatively explain the electromigration-induced void evolutions observations in many studies reported by several researchers heretofore. These findings warrant need to re-investigate technologically important electromigration mechanisms by developing rigorous models based on similar concepts.

• Journal of the Korean Chemical Society
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• v.60 no.4
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• pp.239-244
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• 2016

We investigated the structures and electronic properties of Cu_mSiO_m+1 clusters with m = 0 - 7. For these clusters, we replaced a Cu atom in the copper oxide clusters with a Si atom. The B3LYP functional and LANL2DZ basis set were used for optimization of the molecular structures of all neutral and charged clusters. The bond distances, bond angles, and Mulliken charges were calculated to study the structural properties. In addition, in order to understand the electronic properties, we examined the ionization energies, electronic affinities, and second differences in energies.

• Bulletin of the Korean Chemical Society
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• v.34 no.12
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• pp.3843-3846
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• 2013

• Journal of Magnetics
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• v.19 no.1
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• pp.68-71
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• 2014

Copper doped Zinc Oxide nanofilms were prepared using a simple and low cost wet chemical method. The microstructures, phase structure, Raman shift and optical absorption spectrum as well as magnetization were investigated for the nanofilms. Room temperature ferromagnetism has been observed for the nanofilms. Structural analyses indicated that the films possess wurtzite structure and there are no segregated clusters of impurity phase appreciating. The results show that the ferromagnetism in Copper doped Zinc Oxide nanofilms is driven either by a carrier or defect-mediated mechanism. The present work provides an evidence for the origin of ferromagnetism on Copper doped Zinc Oxide nanofilms.

• Bulletin of the Korean Chemical Society
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• v.29 no.12
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• pp.2540-2542
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• 2008

• Mycobiology
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• v.42 no.4
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• pp.427-431
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• 2014

Mitochondrial protein Nfu1 plays an important role in the assembly of mitochondrial Fe-S clusters and intracellular iron homeostasis in the model yeast Saccharomyces cerevisiae. In this study, we identified the Nfu1 ortholog in the human fungal pathogen Cryptococcus neoformans. Our data showed that C. neoformans Nfu1 localized in the mitochondria and influenced homeostasis of essential metals such as iron, copper and manganese. Marked growth defects were observed in the mutant lacking NFU1, which suggests a critical role of Nfu1 in Fe-S cluster biosynthesis and intracellular metal homeostasis in C. neoformans.

• Journal of the Korean Vacuum Society
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• v.7 no.2
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• pp.118-126
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• 1998

A study to improve filling of semiconductor contact holes by enhancement of the directionality of the source beams has been undertaken. The collimation of source beams was improved by the ionized cluster beam deposition technique with modification of the cell geometry. The collimation tested with neutral beam was excellent. But, the Cu flims were grown in a columnar mode due to the lack of surface mobilit of the impinged clusters. A shadow effect also caused cleavage and consequent discontinuity at the steos as films grow. By applying acceleration voltage, the columnar growth in a contact hole of 0.5 $\mu$m diameter and 1 $\mu$m height disappeared and considerable coverage at the side wall of the contacts as well as perfect bottom coverage were observed. These are all due to the assistants of the accelerated ionized clusters with high kinetic energy. Thus we demonstrated that the ICB deposition technique can be used to completely fill sub-half-micron contact holes with high aspect ratio.