| 1. |
- Ahlund, John, et al.
(författare)
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Molecular growth determined by surface domain patterns
- 2008
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Ingår i: The Journal of Physical Chemistry C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455. ; 112:17, s. 6887-6890
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Tidskriftsartikel (refereegranskat)abstract
- The growth of iron phthalocyanine (FePc) on InSb(001) c(8 x 2) at submonolayer coverage has been investigated with scanning tunneling microscopy (STM). FePc adsorbs flat centered on the In rows both at 70 K and at room temperature (RT). However, the shapes of the two-dimensional molecular islands are fundamentally different; while the RT growth results in chainlike structures along the [I 10] direction, as already observed for other Pc's adsorbed on the same surface, the islands are prolonged along [110], i.e., perpendicular to the substrate rows, at 70 K. These observations are explained on the basis of a recently observed new surface phase at low temperature, resulting in structural domains on the surface. The molecular growth front follows the propagating domain boundary that freezes at low temperature.
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| 2. |
- Alfredsson, Ylvi, et al.
(författare)
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Electronic structure of a vapor-deposited metal-free phthalocyanine thin film
- 2005
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Ingår i: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 122:21
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Tidskriftsartikel (refereegranskat)abstract
- The electronic structure of a vapor-sublimated thin film of metal-free phthalocyanine (H2Pc) is studied experimentally and theoretically. An atom-specific picture of the occupied and unoccupied electronic states is obtained using x-ray-absorption spectroscopy (XAS), core- and valence-level x-ray photoelectron spectroscopy (XPS), and density-functional theory (DFT) calculations. The DFT calculations allow for an identification of the contributions from individual nitrogen atoms to the experimental N1s XAS and valence XPS spectra. This comprehensive study of metal-free phthalocyanine is relevant for the application of such molecules in molecular electronics and provides a solid foundation for identifying modifications in the electronic structure induced by various substituent groups.
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| 3. |
- Ameur, Yacin, et al.
(författare)
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Interpolation classes and matrix monotone functions
- 2007
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Ingår i: Journal of operator theory. - 0379-4024 .- 1841-7744. ; 57:2, s. 409-427
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Tidskriftsartikel (refereegranskat)abstract
- An interpolation function of order n is a positive function -/+ on (0, infinity) such that vertical bar vertical bar -/+ (A)(1/2) T -/+ (A)-(1/2) vertical bar vertical bar <= max(vertical bar vertical bar T vertical bar vertical bar, vertical bar A(1/2)TA(-1/2) vertical bar vertical bar) for all n x ii matrices T and A such that A is positive definite. By a theorem of Donoghue, the class C-n of interpolation functions of order n coincides with the class of functions -/+ such that for each n-subset S = {lambda i}(n)(i=1)of (0,infinity) there exists a positive Pick function h on (0, co) interpolating -/+ at S. This note comprises a study of the classes C-n and their relations to matrix monotone functions of finite order. We also consider interpolation functions on general unital C*-algebras.
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| 4. |
- Brena, Barbara, et al.
(författare)
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InSb-TiOPc interfaces : Band alignment, ordering and structure dependent HOMO splitting
- 2009
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Ingår i: Surface Science. - : Elsevier BV. - 0039-6028 .- 1879-2758. ; 603:20, s. 3160-3169
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Tidskriftsartikel (refereegranskat)abstract
- Thin films of titanyl phthalocyanine (TiOPc) have been adsorbed on InSb(1 1 1) (3 x 3) and InSb(1 0 0) c(8 x 2) surfaces and studied with respect to their electronic structure using photoemission (PES), density functional theory (DFT) and scanning tunneling microscopy (STM). The interface chemical interaction is weak in both cases; no adsorbate induced surface band bending is observed and the energy level alignment across the interface is determined by the original position of the substrate Fermi level and the charge neutrality level of the molecule. Room temperature adsorption results in disordered films on both surfaces. The behaviors after annealing are different; on InSb(1 0 0) well-ordered molecular chains form along and on top of the In-rows, whereas on (1 1 1) no long range order is observed. The disorder leads to intermolecular interactions between the titanyl group and neighboring benzene rings leading to a split of TiOPc HOMO (highest occupied molecular orbital) by as much as 0.8 eV.
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| 5. |
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| 6. |
- Ellert, Mattias, et al.
(författare)
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Advanced Resource Connector middleware for lightweight computational Grids
- 2007
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Ingår i: Future generations computer systems. - : Elsevier BV. - 0167-739X .- 1872-7115. ; 23:2, s. 219-240
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Tidskriftsartikel (refereegranskat)abstract
- As computational Grids move away from the prototyping state, reliability, performance and ease of use and maintenance become focus areas of their adoption. In this paper, we describe ARC (Advanced Resource Connector) Grid middleware, where these issues have been given special consideration. We present an in-depth view of the existing components of ARC, and discuss some of the new components, functionalities and enhancements currently under development. This paper also describes architectural and technical choices that have been made to ensure scalability, stability and high performance. The core components of ARC have already been thoroughly tested in demanding production environments, where it has been in use since 2002. The main goal of this paper is to provide a first comprehensive description of ARC.
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| 7. |
- Ericsson, Caroline, et al.
(författare)
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Effects of temperature, salt, and deuterium oxide on the self-aggregation of alkylglycosides in dilute solution. 2. n-Tetradecyl-beta-D-maltoside
- 2005
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Ingår i: Langmuir. - : American Chemical Society (ACS). - 0743-7463 .- 1520-5827. ; 21:4, s. 1507-1515
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Tidskriftsartikel (refereegranskat)abstract
- The effects of salt, temperature, and deuterium oxide on the self-aggregation of n-tetradecyl-beta-D-maltoside (C(14)G(2)) in dilute solution have been investigated by static light scattering, dynamic light scattering (DLS), small-angle neutron scattering (SANS), tensiometry, and capillary viscometry. SANS data show that the micelles can be described as relatively flexible polymer-like micelles with an elliptical cross section, at least at temperatures between 35 and 50 degreesC. The micelles grow in one dimension with increasing temperature and concentration. DLS and viscometry data suggest that the micelle size reaches a maximum at 60-70 degreesC. Comparison of DLS data in D2O and H2O shows that the micelles are larger in the former case. The effect of salt on the micelle size was found to follow the Hofmeister series. Thus, at constant salt concentration, the micelle size decreases according to the sequence SO42- > Cl (-)> NO3 > I- > SCN-, where I- and SCN- act as salting-in anions. From tensiometric data, it can be concluded that the temperature effects on micelle morphology do not correlate directly with those on unimer solubility. Rather, the temperature effect on the hydrocarbon chain conformation seems to be decisive for the micelle morphology. At constant temperature, on the other hand, the effect of salt and deuterium isotope is attributable to changes in effective headgroup area, including intermolecular interactions and water of hydration.
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| 8. |
- Feifel, R., et al.
(författare)
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X-ray absorption and resonant Auger spectroscopy of O(2) in the vicinity of the O 1s ->sigma* resonance : Experiment and theory
- 2008
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Ingår i: Journal of Chemical Physics. - : American Institute of Physics (AIP). - 0021-9606 .- 1089-7690. ; 128:6
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Tidskriftsartikel (refereegranskat)abstract
- We report on an experimental and theoretical investigation of x-ray absorption and resonant Auger electron spectra of gas phase O(2) recorded in the vicinity of the O 1s ->sigma* excitation region. Our investigation shows that core excitation takes place in a region with multiple crossings of potential energy curves of the excited states. We find a complete breakdown of the diabatic picture for this part of the x-ray absorption spectrum, which allows us to assign an hitherto unexplained fine structure in this spectral region. The experimental Auger data reveal an extended vibrational progression, for the outermost singly ionized X (2)Pi(g) final state, which exhibits strong changes in spectral shape within a short range of photon energy detuning (0 eV>Omega>-0.7 eV). To explain the experimental resonant Auger electron spectra, we use a mixed adiabatic/diabatic picture selecting crossing points according to the strength of the electronic coupling. Reasonable agreement is found between experiment and theory even though the nonadiabatic couplings are neglected. The resonant Auger electron scattering, which is essentially due to decay from dissociative core-excited states, is accompanied by strong lifetime-vibrational and intermediate electronic state interferences as well as an interference with the direct photoionization channel. The overall agreement between the experimental Auger spectra and the calculated spectra supports the mixed diabatic/adiabatic picture.
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| 9. |
- Gadea, A., et al.
(författare)
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Observation of Ni-54 : Cross-conjugate symmetry in f(7/2) mirror energy differences
- 2006
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Ingår i: Physical Review Letters. - 0031-9007 .- 1079-7114. ; 97:15, s. 152501-
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Tidskriftsartikel (refereegranskat)abstract
- Gamma decays from excited states up to J(pi)=6(+) in the N=Z-2 nucleus Ni-54 have been identified for the first time. Level energies are compared with those of the isobars Co-54 and Fe-54 and of the cross-conjugate nuclei of mass A=42. The good but puzzling f(7/2) cross-conjugate symmetry in mirror and triplet energy differences is analyzed. Shell model calculations reproduce the new data but the necessary nuclear charge-dependent phenomenology is not fully explained by modern nucleon-nucleon potentials.
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| 10. |
- Hunter Dunn, Jonathan, et al.
(författare)
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Vanishing Magnetic Interactions in Ferromagnetic Thin Films
- 2005
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Ingår i: PHYSICAL REVIEW LETTERS. - : American Physical Society (APS). - 0031-9007 .- 1079-7114. ; 94:21, s. 217202-
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Tidskriftsartikel (refereegranskat)abstract
- We have used element-specific hysteresis measurements, based on the x-ray magnetic circular dichroism technique, to investigate magnetic trilayer structures composed of Fe and Ni layers. Within a critical regime we have discovered a class of structures in which the exchange interaction, the mechanism responsible for the macroscopic magnetism, can become vanishingly small. The experimental observations are supported by first principles theory and are explained as arising from a cancellation of several competing magnetic interactions. Hence, we have discovered a system with a novel exchange interaction between magnetic layers in direct contact that replaces the conventional exchange interaction in ferromagnets.
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