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Optical spectra of Cu, Ag, and Au monomers and dimers at regular sites and oxygen vacancies of the MgO(001) surface were studied by time-dependent density functional study. The embedded cluster model was used which provided an accurate description of substrate relaxation and long-range electrostatic interaction.

A study was conducted to explore the photophysical properties of a series of luminescent copper(I) halide complexes with chelating ligand, 1,2-bis[diphenylphosphino]benzene (dppb) ([[Cu-([mu]-X)dppb].sub.2] and Cul(dppb)(P[Ph.sub.3])). The complexes in their excited state, both in solid state and in the solution, have showed favorable geometry of distorted tetrahedral and square-planar respectively.

A study was conducted to explore the photophysical properties of a series of luminescent copper(I) halide complexes with chelating ligand, 1,2-bis[diphenylphosphino]benzene (dppb) ([[Cu-([mu]-X)dppb].sub.2] and Cul(dppb)(P[Ph.sub.3])). The complexes in their excited state, both in solid state and in the solution, have showed favorable geometry of distorted tetrahedral and square-planar respectively.

The synthesis of some compounds belonging to the [Cu.sub.2]Sn[S.sub.3]-[Cu.sub.2]Si[S.sub.3] system and the crystal structure determination are described. The compounds were found to crystallize in a monoclinic structure like the pure phases and there was a smooth decrease in the crystallographic parameters with x despite the large difference between the radii of Sn and Si.

The undoped p-type copper indium diselenide (CuIn[Se.sub.2], CIS) layers grown by using a hot wall epitaxy (HWE) are studied by measuring their photocurrent (PC) spectra at different temperatures. The results have indicated that in undoped p-type CIS layers, the trapping center has limited the PC signal because of the native defects and impurities with decreasing temperature.

Instrumented Taylor anvil-on-rod impact tests is conducted on oxygen-free electronic copper to validate the accuracy of current strength models for predicting transient states during dynamic deformation events. Varying degrees of deviations are observed between the photographed and calculated specimen profiles at intermediate deformation states, while simulations showed good correlation with the measured free surface velocity traces and the final deformed sample shape.

The characterization of CuO/Al2O3-ZrO2 catalysts by powder X-ray diffraction (XRD), electron spin resonance (ESR), temperature-programmed reduction (TPR), and temperature-programmed desorption (TPD) of CO2 and NH3 is reported. The dispersion of copper supported on Al2O3-ZrO2 is estimated as a function of copper loading and the changes in structure of the copper phase is identified with increased active-phase loading.

The photophysics of a series of bis-metal doubly N-confused hexaphyrins (1.1.1.1.1.1) was investigated using various fluorescent techniques and geometry-optimized ab inito calculations. Bis-Zn(II) and free-base doubly N-confused hexaphyrins show [pi]-[pi*] transitions around a hexaphyrin ring at the B3LYP/6-3IG level and the absorption spectra of bis-Cu(II) and bis-Co(II) doubly N-confused hexaphyrins are relatively broad due to large couplings between the metal d-orbitals and [pi]-electrons of the hexaphyrin rings.

A metallic coating method is used to modify the optical properties of a dielectric photonic lattice and to achieve a near visible photonic band edge. It is experimentally shown that the linear scaling rule of a metallic band edge versus lattice constant holds only for perfect conducting metals.

Optical absorption measurements at different temperatures on CuIn5Se8 single crystals are reported. Single crystals are grown by chemical vapor transport (CVT) and the importance of growing and measuring the properties of CuIn5Se8 single crystals lies in the possibility of obtaining more reliable data on the physical properties of the material of interest.

Experimental results and possible explanations will be presented on how substrate temperature and air annealing influence the interface between Cu(In, Ga)Se2 (CIGS) and powder evaporated In(sub x)S(sub y). These interfaces are studied by means of bright-field and high-resolution transmission electron microscopy.

The luminescence properties of a wide-band-gap, direct band-gap optoelectronic material, grown on closely lattice-matched silicon substrates namely gamma-CuCl on Si is presented. Polycrystalline epitaxy of CuCl can be controlled such that it maintains an orientation similar to the underlying Si substrate.

The creation of damaged regions leading to failure is studied using flat-top and triangular shock waves generated in gas-gun experiments as well as quasi-isentropic ramp waves. Real-time velocity interferometer system for any reflector (VISAR) measurements combined with post-metallurgical experiment analysis of soft recovered samples is used to investigate the damage process in copper subjected to three different loading profiles.

Numerical simulations are used to investigate thin-film solar cells based on Cu(In, Ga)Se2 absorbers with thicknesses similar to or below their optical absorption length. The sensitivity of submicrometer cells to nonuniformities is evaluated by studying the variability of device performance with respect to key parameters.

Copper nitride (Cu3N) thin films are deposited on glass substrates by reactive radio-frequency (rf) magnetron sputtering of a pure copper target in a nitrogen/argon atmosphere. The deposition rate, structural, thermal stability, electrical, optical properties and the Hall effect of Cu3N thin films, as well as the surface morphology of the films are investigated.

Highly photosensitive organic thin-film phototransistors with an organic field-effect transistor (OFET) configuration are fabricated based on pentacene and copper phthalocyanine (CuPC), and the effect on the wavelength of the light source of the device performance is examined. The CuPC and pentacene OPTs show a high responsitivities of 0.5-2 and 10-50 A/W and maximum I(sub Ph)/I(sub Dark) of 3000 and 1.3 X 10(super 5), respectively, under 365 nm UV light.

Controlled microwave irradiation has been used to accelerate metal-catalyzed oxidation (MCO) reactions that site-specifically oxidize the amino acids bound to Cu in a metalloprotein. When combined with mass spectrometry, these MCO reactions provide a sensitive method for determining Cu-protein binding sites. In this work, we demonstrate that microwave irradiation can increase the rate of these site-specific oxidation reactions for Cu/Zn superoxide dismutase by at least 15-fold. By choosing the appropriate microwave power, changes to the protein's structure can be avoided while still accelerating the oxidation reactions. The maximum microwave power suitable for maintaining the protein's structural integrity can be readily determined by measuring the oxidation extent of different peptide fragments as a function of microwave power. Such determinations require several measurements and thus limit the overall throughput of this approach; however, these microwave-assisted reactions do provide good time resolution for studying dynamic changes to Cu-binding sites.

Solvothermal reactions of copper(I) cyanide with tetramethylammonium salts in anhydrous tetrahydrofuran (THF) lead to two novel halogeno(cyano)cuprates namely [Me4N][Cu3(CN)2Br2] with a 1 - D ribbon motif and [Me4N]2[Cu4(CN)5CI] and with a 3-D nanoporous framework. The optical and luminescent studies indicate that both the complexes are potential materials for semiconductors and long-lived highly luminescent material.c

A copper vapor laser tube with a large volume (15.1 L) is developed to study extrapolation in power of the Cu-Ne-HCl-H2 laser medium. The results obtained 312 W on the green and yellow laser lines of copper with the device operated as an oscillator.

The structural, emissive, and nonlinear optical properties of new CuI adducts with para-substituted trans-stibazolic and pyridinic ligands are reported. Single-crystal X-ray diffraction results indicate that the para-substituent on the organic ligand greatly influences the structural motif by its steric, electronic/steric, or bridging-donor properties.

The preparation of organic superlattices consisting of five alternating layers of 3,4,9,10-perylenetetracarboxylic dianyhydride (PTCDA) and copper phthalocyanine (CuPc) is done by organic molecular-beam deposition in high vacuum on hydrogen-passivated, (111)-oriented silicon. An investigation was done on the optical response of the multilayered structure by means of spectroscopic ellipsometry in the spectral range from 0.73 to 5 eV.

The microstructure of GdBa2Cu3O7-delta/La0.6Sr0.4MnO3 superlattices grown on MgO substrates by high-resolution transmission electron microscopy was studied. The crystallography of the interfaces found between the layers and the defects was analyzed and their role ion the physical properties of the superlattices was discussed.

A series of experiments and numerical simulations are designed to determinate the rate of stress-driven diffusion along interfaces in damascene copper interconnect structure. The rate of stress relaxation in an array of parallel damascene copper lines was measured by using Wafer curvature experiments. The stress relaxation was found to depend on the choice of passivation.

The preparation, characterization, and photophysical properties of a series of Pt(super II)-M(super I) (M = Cu, Ag, Au) heterometallic complexes isolated by reactions of Pt(diimine)(edt) (edt = 1,2-ethanedithiolate) with M2(dppm)2(MeCN)(sub 2)(super 2+) (M = Cu, Ag, Au) are described. The study demonstrates that incorporating Pt(diimine)-(dithiolate) with [M2(dppm)2]2+ affords a feasible synthetic approach to attain heterometallic and multicomponent materials.

The adsorption behavior and crystallographic structure of copper phthalocyanine (CuPc) on highly oriented pyrolytic graphite (HOPG) at high substrate temperatures is described. Vibrational and structural results suggested that CuPc molecules formed a close-packed structure on the substrate with a face-to-face columnar growth that maintained the lying-flat orientation throughout the growth process.

The procedure applied for the L species on Pt/Al2O3 is used to prove that there is a linear relationship between the IR band of the L species absorbed on reduced 4.7%Cu/Al2O3 solid and its amount on the surface. The conclusion confirms that quantitative exploitations of the FTIR spectra recorded after adsorption of CO can be reasonably reformed at least under adsorption equilibrium.

The growth, structural optical and electrical characterizations at room temperatures of CuIn(sub 3)Te(sub 5) and CuGa(sub 3)Te(sub 5) having a chalcopyrite-related structure and a direct band gap are reported. The electrical properties of these compounds are dominated by a shallow acceptor level with activation energy smaller than 30 meV.

The synthesis and structural characterization of 3d polymeric cluster [W(sub 4)S(sub 16)Cu(sub 16)Cl(sub 16)]n by the reaction of [NH(sub 4)](sub 2)[WS(sub 4)], CuCl, S(sub 8) and [NEt(sub 4)]Cl in the solid-state is presented. The result from the nonlinear optical (NLO) properties shows that the cluster exhibits large NLO absorptive and strong refractive behaviors

A study of the photoinduced DNA cleavage activity of the ternary tris(3-phenylpyrazolyl)borate copper(II) scorpionates [Cu(B){Tp(super Ph)}](ClO4) having heterocyclic bases B of 1,10-phenanthroline (phen), dipyridoquinoxaline (dpq), and dipyridophenazine (dppz) is carried out. The findings shows that the dpq and dppz complexes display efficient DNA cleavage activity due to the steric protection of the photosensitizer in the molecular bowl of [Cu{Tp(super Ph)}] moiety.

The oxygen plasma generated CuO(sub x) enhanced the hole injection into organic hole-transport layer (HTL). The analysis by X-ray diffraction pattern and Fourier transform infrared spectrum demonstrated that CuO(sub x) was a mixture of copper and copper oxides.

The photovoltaic characteristics of ITO/[(t-bt).sub.2]Ir(acac):CuPc/[C.sub.60]/BCP/Ag organic solar cells (OSCs) are studied. The influence of dopant [(t-bt).sub.2]Ir(acac) on charge carrier collection H(V), device energy loss is discussed.

Equations describing effect of electronic nonuniformities on electroluminescence (EL) and the electron beam induced current (EBOC) images are analyzed on Cu(In,Ga)[Se.sub.2] solar cells. The samples have shown the largest variation in carrier collection function on a length scale of over 100 [micro]m while the band gap has varied almost linearly across the cell and the impact of shunt, series and stack resistances on EL images is discussed.

The time resolve microwave photoconductivity approach is employed to explain the charge separation and recombination taking place in the radial ZnO/[In.sub.2][S.sub.3]/CuSCN heterojunction structures. The charge injection yield of the structures is shown to highly depend on the presence of CuSCN.

The atomic composition, structural, morphological and optical properties of N-rich copper nitride thin films are examined prior to and after annealing them in vacuum. The studies have confirmed that nitrogen excess is accommodated in interstitial locations within the anti-Re[O.sub.3] crystal lattice forming a solid solution and have also described the impact of nitrogen migration on the optical properties of the films.

A relativistic full-potential linearized augmented plane wave method is used for analyzing the electronic structure as well as the optical response of kesterite and stannite structures of [Cu.sub.2]ZnSn[S.sub.4] and [Cu.sub.2]ZnSn[Se.sub.4]. The characteristic anisotropy of the dielectric function in the stannite compounds has allowed for a complementary identification of the crystalline structure type and all four compounds have shown similar atomic-resolved density-of-states, dielectric function and optical absorption coefficient.

The significant covalent bonding character in the Au-C bonds in Au[(CN).sub.2.sup.-] is studied by using photoelectron spectroscopy and is compared with its lighter congeners (Ag[(CN).sub.2.sup.-] and Cu[(CN).sub.2.sup.-]). The covalent character in the Au-C bonding because of the strong relativistic effects is shown in Au[(CN).sub.2.sup.-], consistent with its high stability.

Highly enhanced nonlinear absorption cross section values of [Cu.sub.60](>DPAF-[C.sub.2M]), [C.sub.60](>DPAF-[C.sub.9]) and [C.sub.60](>DPAF-[C.sub.10]) dyads are detected in the 2.0 ps region in toluene. They are correlated to a trend showing higher efficiency in light transmittance attenuation for the dyads.

The near UV irradiation of aerated solutions of [([Et.sub.4]N).sub.2][Cu[Cl.sub.4]] in dichloromethane is used to understand the decomposition kinetics of C[H.sub.2][Cl.sub.2] by the buildup of HCl, [C.sub.2][H.sub.2][Cl.sub.4], and peroxides. The results showed that the hydroperoxide is formed through electron transfer from copper(II) to the peroxy radical followed by protonation of the resulting peroxide anion.

A combination of X-ray absorption (XAS) and pulsed electron paramagnetic resonance (EPR) spectroscopies were employed to examine the nature of distinct well-ordered type II site formed by riboflavin binding protein (RBP) which binds copper in a 1:1 molar ratio. The XAS and EPR spectroscopy showed evidence for role of a single histidine ligand in binding of RBP with copper in an [O.sub.3]N type II site.

The synthesis of a size series of copper indium selenide (Cu-In-Se) quantum dots (QDs) of various stoichiometries displaying photoluminescence (PL) from the red to the near-infrared (NIR) is described. The modular hot injection synthetic method has the potential to be extended to other QDs composed of I-III-VI semiconductors, which has allowed the exploration of the elemental compositions and electronic properties in QD materials.

The complexation of Cu(II) by amyloid-[beta] (A[beta]) is examined through the tandem use of fluorescence and electron paramagnetic resonance (EPR) spectroscopies. With the help of tyrosine fluorescence spectroscopy has provided mechanistic insights into the oxidation state of copper ions bound to A[beta], the binding heterogeneity and the impact of solution conditions on complex formation.