Lifting the Pt[100] surface reconstruction through oxygen adsorption: a density functional theory analysis

The adsorption of atomic oxygen on unreconstructed Pt[100]-(1 x 1) and reconstructed Pt[100]-(5 x 1) was modeled using density-functional theory in an attempt to understand the relative stability of the unreconstructed phase as a function of oxygen coverage. Our calculations showed that at zero temperature the (5 x 1) is more stable than the unreconstructed (1 x 1) phase at zero oxygen coverage. However, oxygen absorption on the Pt[100]-(5 x 1) phase removed the reconstruction, reversing the phase stability. Using thermochemical analysis, we show desorption of oxygen corresponding to a temperature near 730 K, consistent with experimentally observed desorption peaks for oxygen covered (1 x 1) surfaces. These results have ramifications for understanding the full Pt[100](1 x 1)-->Pt[100]hex-R0.7 degrees surface phase transition.     

Anwendung

Ohne Zusammenfassung     

Spontaneous symmetry breaking in higher dimensional fixed point spaces

Summary We investigate the branching of solutions of equivariant problems where the equivariant branching lemma does not apply, because the relevant subgroup has a 2 dimensional fixed point space. First we look at a case where is a maximal isotropy subgroup, then we consider the case where it is a submaximal isotropy subgroup.Dedicated to Prof. K. Kirchgässner on the occasion of his sixtieth birthday     

Measurement of acoustic phonons in beryllium by inelastic X-ray scattering

We present measurements of inelastic scattering of X-rays with high energy resolution. Acoustic phonons in beryllium with an energy transfer of E up to 20 THz were detected. A conventional X-ray source with a power of 8 kW was used.     

Coulomb excitation of230Th with32S,84Kr and142Nd projectiles

The Coulomb excitation measurements for the²³⁰Th nucleus with³²S,⁸⁴Kr and¹⁴²Nd projectiles are presented. The use of different projectiles allowed us to get information in the ground-state band and side bands. The energy spectrum of the ground-state band and of the lowest negative-parity band have been investigated up to the spin valueI=24⁺ andI=19^?(21), respectively. Five side bands (K ^π=0⁺, 2 ₁ ⁺ , 2 ₂ ⁺ , 1^?, 2^?) were observed also. The branching ratios for a large number of transitions in the spin regionI≦10 for π=+1 andI≦9 for π=? 1 are analysed. The full set of experimental data contains information on the mixing of the adiabatic states and on the nuclear response to the electromagnetic field ofγ-radiation. It is shown that the experimental data may be explained taking into account the coupling of the ground-β- and twoγ-bands and also of theK ^π=0^?, 1^? and 2^? negative-parity bands. An enhancement of the transitions from theγ-to theβ-band in respect to the transitions from theγ to the ground band and from theβ- to the ground band is reported. The mixing of the negative-parity bands is found to be typical for the alignment of the octupole-vibrational angular momentum. The strong spin dependence of the intrinsic matrix elements of the electric-dipole operator follows from the branching ratios of inter- and intra-band transitions from theK ^π=0^? states.     

Gold‐Catalyzed Synthesis of Iodofulvenes

We report the gold‐catalyzed synthesis of highly functionalized iodofulvenes from iododialkynes under mild conditions. The catalytic cycle involves the formation of gold acetylides and vinylgold intermediates. These intermediates can then undergo an unprecedented iodine/gold exchange. This new pathway for catalyst transfer in dual gold catalysis opens up the possibility of highly regioselective transformations directed by the gold in the organogold intermediates. The resulting products are well suited for further metal‐mediated coupling reactions, allowing the synthesis of extended π‐systems.