Precise half-life measurement of 110Sn and 109In isotopes

The half-lives of 110Sn and 109In isotopes have been measured with high precision. The results are T1/2 =4.173 +- 0.023 h for 110Sn and T1/2 = 4.167 +-0.018 h for 109In. The precision of the half-lives has been increased by a factor of 5 with respect to the literature values which makes results of the recently measured 106Cd(alpha,gamma)110Sn and 106Cd(alpha,p)109In cross sections more reliable.Comment: 3 pages, 2 figures, accepted for publication in Phys. Rev C as brief repor

A new scanning tunneling microscope reactor used for high-pressure and high-temperature catalysis studies

This is the published version. Copyright 2008 American Institute of PhysicsWe present the design and performance of a homebuilt high-pressure and high-temperature reactor equipped with a high-resolution scanning tunneling microscope STM for catalytic studies. In this design, the STM body, sample, and tip are placed in a small high pressure reactor 19 cm3 located within an ultrahigh vacuum UHV chamber. A sealable port on the wall of the reactor separates the high pressure environment in the reactor from the vacuum environment of the STM chamber and permits sample transfer and tip change in UHV. A combination of a sample transfer arm, wobble stick, and sample load-lock system allows fast transfer of samples and tips between the preparation chamber, high pressure reactor, and ambient environment. This STM reactor can work as a batch or flowing reactor at a pressure range of 10−13 to several bars and a temperature range of 300–700 K. Experiments performed on two samples both in vacuum and in high pressure conditions demonstrate the capability of in situ investigations of heterogeneous catalysis and surface chemistry at atomic resolution at a wide pressure range from UHV to a pressure higher than 1 atm

First Principles Study of Adsorption of O2O_{2} on Al Surface with Hybrid Functionals

Adsorption of $O_{2}$ molecule on Al surface has been a long standing puzzle for the first principles calculation. We have studied the adsorption of $O_{2}$ molecule on the Al(111) surface using hybrid functionals. In contrast to the previous LDA/GGA, the present calculations with hybrid functionals successfully predict that $O_{2}$ molecule can be absorbed on the Al(111) surface with a barrier around 0.2$\thicksim$0.4 eV, which is in good agreement with experiments. Our calculations predict that the LUMO of $O_{2}$ molecule is higher than the Fermi level of the Al(111) surface, which is responsible for the barrier of the $O_{2}$ adsorption.Comment: 14 pages, 5 figure

Coulomb suppression of the stellar enhancement factor

It is commonly assumed that reaction measurements for astrophysics should be preferably performed in the direction of positive Q value to minimize the impact of the stellar enhancement factor, i.e. the difference between the laboratory rate and the actual stellar rate. We show that the stellar effects can be minimized in the charged particle channel, even when the reaction Q value is negative. As a demonstration, the cross section of the astrophysically relevant 85Rb(p,n)85Sr reaction has been measured by activation between 2.16 < Ec.m. < 3.96 MeV and the astrophysical reaction rate for (p,n) as well as (n,p) is directly inferred from the data. The presented arguments are also relevant for other alpha and proton-induced reactions in the p and rp processes. Additionally, our results confirm a previously derived modification of a global optical proton potential.Comment: submitted to PR

The shortcomings of semi-local and hybrid functionals: what we can learn from surface science studies

A study of the adsorption of CO on late 4d and $5d$ transition metal (111) surfaces (Ru, Rh, Pd, Ag, Os, Ir, and Pt) considering atop and hollow site adsorption is presented. The applied functionals include the gradient corrected PBE and BLYP functional, and the corresponding hybrid Hartree-Fock density functionals HSE and B3LYP. We find that PBE based hybrid functionals (specifically HSE) yield, with the exception of Pt, the correct site order on all considered metals, but they also considerably overestimate the adsorption energies compared to experiment. On the other hand, the semi-local BLYP functional and the corresponding hybrid functional B3LYP yield very satisfactory adsorption energies and the correct adsorption site for all surfaces. We are thus faced with a Procrustean problem: the B3LYP and BLYP functionals seem to be the overall best choice for describing adsorption on metal surfaces, but they simultaneously fail to account well for the properties of the metal, vastly overestimating the equilibrium volume and underestimating the atomization energies. Setting out from these observations, general conclusions are drawn on the relative merits and drawbacks of various semi-local and hybrid functionals. The discussion includes a revised version of the PBE functional specifically optimized for bulk properties and surface energies (PBEsol), a revised version of the PBE functional specifically optimized to predict accurate adsorption energies (rPBE), as well as the aforementioned BLYP functional. We conclude that no semi-local functional is capable to describe all aspects properly, and including non-local exchange also only improves some, but worsens other properties.Comment: 12 pages, 6 figures; to be published in New Journal of Physic

Surface structure and electronic properties of materials

A surface potential model is developed to explain dopant effects on chemical vapor deposition. Auger analysis of the interaction between allotropic forms of carbon and silicon films has shown Si-C formation for all forms by glassy carbon. LEED intensity measurements have been used to determine the mean square displacement of surface atoms of silicon single crystals, and electron loss spectroscopy has shown the effect of structure and impurities on surface states located within the band gap. A thin film of Al has been used to enhance film crystallinity at low temperature

Water exchange at a hydrated platinum electrode is rare and collective

We use molecular dynamics simulations to study the exchange kinetics of water molecules at a model metal electrode surface -- exchange between water molecules in the bulk liquid and water molecules bound to the metal. This process is a rare event, with a mean residence time of a bound water of about 40 ns for the model we consider. With analysis borrowed from the techniques of rare-event sampling, we show how this exchange or desorption is controlled by (1) reorganization of the hydrogen bond network within the adlayer of bound water molecules, and by (2) interfacial density fluctuations of the bulk liquid adjacent to the adlayer. We define collective coordinates that describe the desorption mechanism. Spatial and temporal correlations associated with a single event extend over nanometers and tens of picoseconds.Comment: 10 pages, 9 figure

How important is the Family? : Alpha nuclear potentials and p-process nucleosynthesis

Copyright owned by the author(s) under the terms of the Creative Commons Attribution-NonCommercial-ShareAlike LicenceIn this work we present the results from the analysis of the experimentally measured angular distributions of the reaction 106Cd(α , α )106 Cd at several different energies around the Coulomb barrier. The difficulties that arise in the study of 106Cd-α -nuclear potential and the so called Family Problem are addressed in this work

Alpha-induced cross sections of 106Cd for the astrophysical p-process

The 106Cd(alpha,gamma)110Sn reaction cross section has been measured in the energy range of the Gamow window for the astrophysical p-process scenario. The cross sections for 106Cd(alpha,n)109Sn and for 106Cd(alpha,p)109In below the (alpha,n) threshold have also been determined. The results are compared with predictions of the statistical model code NON-SMOKER using different input parameters. The comparison shows that a discrepancy for 106Cd(alpha,gamma)110Sn when using the standard optical potentials can be removed with a different alpha+106Cd potential. Some astrophysical implications are discussed.Comment: 10 pages, 9 figures, accepted for publication in Phys. Rev

The 85$Rb(p,n)85Sr reaction and the modified proton optical potential

The cross sections of the astrophysically relevant 85$Rb(p,n)85Srg,m reaction have been measured between Ec.m. = 2.16 and 3.96 MeV. The cross sections have been derived by measuring the gamma radiation following the beta decay of the reaction products. A comparison with the predictions of Hauser-Feshbach calculations using the NON-SMOKER code confirms a recently derived modification of the global optical proton potential.Comment: CGS XIII conferenc