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1.
Chemphyschem ; 18(23): 3469-3477, 2017 Dec 06.
Artigo em Inglês | MEDLINE | ID: mdl-28960697

RESUMO

The fluid dynamics of a liquid|liquid system inside a four-electrode electrochemical cell were studied by velocimetry magnetic resonance imaging (MRI) and flow propagator measurements. To characterize this system fully, three different cell configurations operating at two rotational frequencies were analyzed. Quantitative information about the stability of the liquid|liquid interface and the dynamics of the organic phase were determined. The NMR spectroscopy results were in agreement with the electrochemical measurements performed by using the same experimental setup.

2.
Phys Chem Chem Phys ; 18(11): 7688-94, 2016 Mar 21.
Artigo em Inglês | MEDLINE | ID: mdl-26907937

RESUMO

Formation of monoatomic chains by axial stretching of zinc oxide nanowires is investigated using molecular dynamics and supported by density functional calculations. Special focus is made on the mechanical properties of these structures. Using a state-of-the-art force field it was found that O2 species are commonly formed within the chain. This species drastically weakens the chain strength. Previous simulations, based on a pair potential, failed to predict O2 formation. Moreover, the superductility of zinc oxide nanowires observed in earlier studies, was found to be an artifact of the pair potential. Simulations revealed that the chain length before rupture (usually of 6 atoms) is independent of the nanowire diameter. The electronic structure and the charge distribution of the chains were also studied.

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