28 research outputs found

    Density-functional study of Cu atoms, monolayers, and coadsorbates on polar ZnO surfaces

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    The structure and electronic properties of single Cu atoms, copper monolayers and thin copper films on the polar oxygen and zinc terminated surfaces of ZnO are studied using periodic density-functional calculations. We find that the binding energy of Cu atoms sensitively depends on how charge neutrality of the polar surfaces is achieved. Bonding is very strong if the surfaces are stabilized by an electronic mechanism which leads to partially filled surface bands. As soon as the surface bands are filled (either by partial Cu coverage, by coadsorbates, or by the formation of defects), the binding energy decreases significantly. In this case, values very similar to those found for nonpolar surfaces and for copper on finite ZnO clusters are obtained. Possible implications of these observations concerning the growth mode of copper on polar ZnO surfaces and their importance in catalysis are discussed.Comment: 6 pages with 2 postscript figures embedded. Uses REVTEX and epsf macro

    Selective Ionization of Group I Elements from Laser Ablated Plumes of Rb Ga Sb, K3Ga3As4, and K4In4As6

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    Experimental results are reported on the I-III-V Zintl compounds Rb·Ga·Sb, K3Ga3As4, and K4In4As6 with respect to laser ablation and subsequent laser ionization/removal processes. The approach takes advantage of the low ionization potentials of the group I elements to achieve selectivity and exert a measure of control over neutral mixtures. A 308 nm laser pulse is used to ablate a I-III-V Zintl compound, while a second laser is used to selectively ionize the ejected species within the extraction region of a time-of-flight mass spectrometer. With the second laser operating at 248 nm (in the case of Rb·Ga·Sb) and at 266 nm (in the case of K3Ga3As4 and K4In4As6), selective gas-phase ionization and removal of the group I elements is clearly demonstrated

    MEASURING THE NUCLEAR HYPERFINE POPULATIONS IN THE GROUND ELECTRONIC STATE OF ATOMIC HYDROGEN USING VELOCITY-ALIGNED DOPPLER SPECTROSCOPY

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    Author Institution: Department of Chemistry, Tulane UniversityA variation on the technique of velocity-aligned Doppler spectroscopy has been used to measure the relative populations in the F=0 and F=1 nuclear hyperfine levels in the ground electronic state of atomic hydrogen produced in the 193 nm photolysis of HBr. This technique provides an unambiguous correlation between the H atom state distributions and the spin-orbit states of the counter fragment, i.e. Br(2P3/2^{2}P_{3/2}) and Br(2P1/2^{2}P_{1/2}). H atom state distributions are monitored by observing the (1+1) two-color multiphoton ionization spectrum exciting through the Lyman-α\alpha transition. Effects of small Stark fields on the observed spectra will be discussed
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