Quantum state-resolved methane scattering from Ni(111) and NiO(111) by bolometer infrared laser tagging: The effect of surface oxidation
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We report on a first-principles investigation of the structural and vibrational properties of vitreous germania (v-GeO2). Our work focuses on a periodic model structure of 168 atoms, but three smaller models are also studied for comparison. We first carry ...
Relative state-to-state cross sections for inelastic collisions between NO X (2) Pi(1/2) (upsilon = 20, J = 0.5, e or f) and He have been determined in a crossed molecular beam setup at a collision energy of 195 cm(-1). Efficient initial state preparation ...
We present a detailed study of GaN pillar arrays by atomic force microscopy (AFM), Raman spectroscopy, and photoluminescence (PL) spectroscopy. AFM is used to characterize the shape of the GaN pillars and revealed a large roughness of etched pillar surface ...
Several novel methods are introduced that allow one to excite and observe. double- or zero-quantum coherences involving a selected pair of spins. All sequences described employ 270 Deg pulses with Gaussian envelopes, not only for selective excitation, but ...
Infrared-optical double resonance excitation of hydrogen peroxide using the v3 + v5 and V2 + v5 combination bands as intermediate levels prepares reactant molecules in single rotational states near the OO dissociation threshold. The band origins of the DEL ...
Using a density-functional approach, we calculate the principal vibrational spectra of vitreous SiO2 and vitreous GeO2 and discuss their analogies and differences. For both glasses, we generate model structures consisting of a random network of corner-shar ...
We describe the use of stimulated Raman pumping in a molecular beam to perform quantum state resolved gas-surface reactivity measurements for molecules prepared in totally symmetric vibrational states. Vibrational states of homonuclear diatomics as well as ...
We present infrared and Raman measurements of magnetite (Fe3O4). This material is known to undergo a metal-insulator and a structural transition (Verwey transition) at T-V = 120 K. The structural aspect of the Verwey transition is disclosed by the appearan ...
We determine the fraction f of B atoms belonging to boroxol rings in vitreous boron oxide through a first-principles analysis. After generating a model structure of vitreous B2O3 by first-principles molecular dynamics, we address a large set of properties, ...
ack of understanding of the factors that compensate energy defects in near resonant V-V energy transfer constrains our ability to accurately predict resonance widths and, thus, the overall importance of such processes. We have carried out one of the first ...