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Crandell, Douglas W.,Zhu, Haiyang,Yang, Xiaofan,Hochmuth, John,Baik, Mu-Hyun The Royal Society of Chemistry 2017 Dalton Transactions Vol.46 No.2
<▼1><P>The copper-exchanged aluminosilicate zeolite SSZ-13 is a leading catalyst for the selective catalytic reduction of NO.</P></▼1><▼2><P>The copper-exchanged aluminosilicate zeolite SSZ-13 is a leading catalyst for the selective catalytic reduction of NO. Density functional theory calculations are used to construct a complete catalytic cycle of this process paying special attention to the coordination geometries and redox states of copper. N2 can be produced in the reduction half-cycle <I>via</I> a nitrosamine intermediate generated from the reaction of the additive reductant NH3 with a NO<SUP>+</SUP> intermediate stabilized by the zeolite lattice. The decomposition of this nitrosamine species can be assisted by incipient Brønsted acid sites generated during catalysis. Our calculations also suggest that the reoxidation of Cu(i) to Cu(ii) requires the addition of both NO and O2. The production of a second equivalent of N2 during the oxidation half-cycle proceeds through a peroxynitrite intermediate to form a Cu–nitrite intermediate, which may react with an acid, either HNO2 or NH4<SUP>+</SUP> to close the catalytic cycle. Models of copper neutralized by an external hydroxide ligand are also examined. These calculations form a key basis for understanding the mechanism of NO reduction in Cu-SSZ-13 in order to develop strategies for rationally optimizing the performance in future experiments.</P></▼2>
Homoepitaxial ZnO Thin Films Fabricated by Using Pulsed-Laser Deposition
Holger von Wenckstern,Matthias Brandt,Heidemarie Schmidt,Christian Hanisch,Gabriele Benndorf,Holger Hochmuth,Michael Lorenz,Marius Grundmann 한국물리학회 2008 THE JOURNAL OF THE KOREAN PHYSICAL SOCIETY Vol.53 No.5
ZnO thin films were deposited homoepitaxially by using pulsed-laser deposition on ZnO wafers grown by using the hydrothermal method. The dominant shallow donor level in the nominally undoped thin films is AlZn, as suggested by thermal admittance spectroscopy and low temperature photoluminescence measurements. The homoepitaxial ZnO:P thin films are n-conducting in the as-grown state, which facilitates investigations by Hall effect measurements. The Hall mobility of such ZnO:P thin lms is higher than that of heteroepitaxial ZnO thin lms and its temperature dependence is similar to that of ZnO single crystals grown by seeded chemical vapor transport.