Barus C.'s Adiabatic Expansion in Case of Vanishing Increments PDF

By Barus C.

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The peaks in the LDOS of the O2 molecule can clearly be assigned to the 5s and 1p orbitals. The uppermost sd-band of the Au8 shows metallic character, meaning that occupied states extend continuously up to the Fermi energy. The LUMO of the O2 molecule lies below the Fermi level, and is thus in resonance with the sd-band of the Au8 cluster. A charge transfer from the cluster to the antibonding 2pà orbital occurs. This backdonation is responsible for the weakening and elongation of the O–O bond. In addition, this activation is accompanied by a change of the spin state of the O2, from a triplet state in the gas phase to a peroxo-like state with zero net spin in the O2/Au8/MgO(FC) complex.

Compared to the relatively detailed understanding of the CO oxidation reaction on single crystals, less is known at the molecular level for supported Pd nanoparticles. Based on studies on different Pd single crystals, the CO oxidation reaction was considered to be insensitive to structure. Consequently, as discussed by Boudart et al. [58], the reaction rate should be independent of the size of supported Pd particles. However, Stara et al. [59] reported significant size effects by studying the transient CO2 formation on Pd nanoparticles supported on Al2O3.

23a and b for selected temperatures. CO was dosed at a partial pressure of 5 Â 10À7 mbar, whereas NO was pulsed at the time t ¼ 0 effecting a partial pressure Figure 23: Transient CO2 formation at selected temperatures measured in a pulsed molecular beam experiment on (a) Pd30 and (b) Pd8. CO was dosed at an isotropic CO pressure of 5 Â 10À7 mbar, whereas at the time t ¼ 0 NO was pulsed effecting a partial pressure of 1 Â 10À4 mbar. 1 sec) plotted as a function of temperature. 34 MATTHIAS ARENZ, STEFAN GILB AND UELI HEIZ of 1 Â 10À4 mbar.

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Adiabatic Expansion in Case of Vanishing Increments by Barus C.


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