889 research outputs found
Structure determination of the reconstructed Au(110) surface
The LEED pattern of the Au(110) surface shows a (1 × 2) and also a (1× 3) superstructure. The (1 × 2) superstructure has been determined by comparison of LEED intensities with model calculations. The missing row model is the most probable model. A minimum of the averaged r-factor, , has been found for 15% contraction of the first layer spacing without atomic displacements in the second layer
A leed analysis of the (2×1)H-Ni(110) structure
A monolayer of H atoms adsorbed on Ni(110) below 180 K forms a (2×1) structure. The unit cell exhibits a glide symmetry plane and contains two adsorbed atoms. Based on a quantitative comparison between experimental and calculated LEED I/V spectra using standard R-factors the following structure was derived: On the clean Ni(110) surface the separation between the first two atomic layers, d12, is contracted by 8.5%±1.5% with respect to the bulk value; those between the second and third and the third and fourth layer, d23 and d34, are expanded by 3.5%±1.5% and 1%±1.5%, respectively—in agreement with recent other results. In the presence of the H adlayer the contraction of d12 is reduced to 4.5%±1.5%, while the expansion of d23 is not affected within the limits of accuracy. The third interlayer spacing d34 returns to its bulk value. The H atoms occupy threefold-coordinated sites formed by two Ni atoms from the first layer and one Ni atom from the second layer which confirms previous more qualitative conclusions based on He diffraction and vibrational spectroscopy. The bond lengths between H and its neighbouring Ni atoms were determined to be equal, namely 1.72±0.1 Å
Decay of metastable phases in a model for the catalytic oxidation of CO
We study by kinetic Monte Carlo simulations the dynamic behavior of a
Ziff-Gulari-Barshad model with CO desorption for the reaction CO + O
CO on a catalytic surface. Finite-size scaling analysis of the fluctuations
and the fourth-order order-parameter cumulant show that below a critical CO
desorption rate, the model exhibits a nonequilibrium first-order phase
transition between low and high CO coverage phases. We calculate several points
on the coexistence curve. We also measure the metastable lifetimes associated
with the transition from the low CO coverage phase to the high CO coverage
phase, and {\it vice versa}. Our results indicate that the transition process
follows a mechanism very similar to the decay of metastable phases associated
with {\it equilibrium} first-order phase transitions and can be described by
the classic Kolmogorov-Johnson-Mehl-Avrami theory of phase transformation by
nucleation and growth. In the present case, the desorption parameter plays the
role of temperature, and the distance to the coexistence curve plays the role
of an external field or supersaturation. We identify two distinct regimes,
depending on whether the system is far from or close to the coexistence curve,
in which the statistical properties and the system-size dependence of the
lifetimes are different, corresponding to multidroplet or single-droplet decay,
respectively. The crossover between the two regimes approaches the coexistence
curve logarithmically with system size, analogous to the behavior of the
crossover between multidroplet and single-droplet metastable decay near an
equilibrium first-order phase transition.Comment: 27 pages, 22 figures, accepted by Physical Review
Energetics and Vibrational States for Hydrogen on Pt(111)
We present a combination of theoretical calculations and experiments for the
low-lying vibrational excitations of H and D atoms adsorbed on the Pt(111)
surface. The vibrational band states are calculated based on the full
three-dimensional adiabatic potential energy surface obtained from first
principles calculations. For coverages less than three quarters of a monolayer,
the observed experimental high-resolution electron peaks at 31 and 68meV are in
excellent agreement with the theoretical transitions between selected bands.
Our results convincingly demonstrate the need to go beyond the local harmonic
oscillator picture to understand the dynamics of this system.Comment: In press at Phys. Rev. Lett - to appear in April 200
Vibrational States of the Hydrogen Isotopes on Pd(111)
The ground and excited vibrational states for the three hydrogen isotopes on
the Pd(111) surface have been calculated. Notable features of these states are
the high degree of anharmonicity, which is most prominently seen in the weak
isotopic dependence of the parallel vibrational transition, and the narrow
bandwidths of these states, which imply that atomic hydrogen is localized on a
particular surface site on time scales of 100 picoseconds or more. Experiments
to resolve ambiguities concerning the present system are suggested.Comment: Surface Science Letters, 302, L305 (1994
Hydrogen adsorption on Pd(133) surface
In this study used is an approach based on measurements of the total energy
distribution (TED) of field emitted electrons in order to examine the
properties of Pd (133) from the aspect of both hydrogen adsorption and surface
hydrides formation. The most favourable sites offered to a hydrogen atom to be
adsorbed have been indicated and an attempt to describe the peaks of the
enhancement factor R spectrum to the specific adsorption sites has also been
made.Comment: to be submitted to the Centr. Eur. J. Phy
Children of prisoners: exploring the impact of families' reappraisal of the role and status of the imprisoned parent on children's coping strategies
Qualitative data from a larger study on the impact of parental imprisonment in four countries found that children of prisoners face fundamentally similar psychological and social challenges. The ways that children cope, however, are influenced by the interpretative frame adopted by the adults around them, and by how issues of parental imprisonment are talked about in their families. This article argues that families have to reappraise their view of the imprisoned parent and then decide on their policy for how to deal with this publicly. Their approach may be based on openness and honesty or may emphasise privacy and secrecy, or a combination of these. Children are likely to be influenced by their parents'/carers' views, although these may cause conflict for them. Where parents/carers retain a positive view of the imprisoned parent, children are likely to benefit; where parents/carers feel issues of shame and stigma acutely, this is likely to be transmitted to their children. This is important for social workers and practitioners involved in supporting prisoners' families and for parenting programmes
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