Finite-state neural networks. A step toward the simulation of very large systems

Neural networks composed of neurons withQ _N states and synapses withQ states are studied analytically and numerically. Analytically it is shown that these finite-state networks are much more efficient at information storage than networks with continuous synapses. In order to take the utmost advantage of networks with finite-state elements, a multineuron and multisynapse coding scheme is introduced which allows the simulation of networks having 1.0×10⁹ couplings at a speed of 7.1×10⁹ coupling evaluations per second on asingle processor of the Cray-YMP. A local learning algorithm is also introduced which allows for the efficient training of large networks with finite-state elements.     

Slowing down of retrieval in the hopfield model

The variation of the convergence time, as a function of the storage capacity is studied numerically for systems ranging in size fromN=1000 toN=16,000 neurons. is found to increase likeexp[–A(_c–)] as one nears the critical storage capacity _c =0.142=0.002.     

Hybrid approach to the synthesis of highly luminescent CdTe/ZnS and CdHgTe/ZnS nanocrystals

We report the synthesis of highly luminescent CdTe/ZnS and CdHgTe/ZnS core/shell semiconductor nanocrystals (NCs). A hybrid of two synthesis routes leads to novel nanocrystal compositions and small core/shell sizes (4-5 nm) that emit in the far-red and near-infrared regions. These particles exhibit higher resistance to oxidation and photobleaching, have high quantum yields, and could be used for biological labeling and imaging.     

Energieverlust und Lichtausbeute bei axialem Channeling von α-Teilchen in Anthrazen

In an atomic beam experiment we measured the hyperfine structure (hfs) of the metastable states 3d ² 4s ⁴ F _3/2,9/2 of Scandium, which were populated by electron impact. A single mode cw dye laser was used to create a population difference between neighbouring hfs states by optical pumping. Rf transitions between these states, equalizing the population numbers, could then be detected by repeating the optical pumping experiment and looking for the laser induced fluorescent light. The following constants of the magnetic dipole and electric quadrupole interactions have been obtained by this method:A _3/2=–158.513(3)MHzB _3/2=–5.19(2)MHzA _9/2=285.967(9)MHzB _9/2=–15.46(70)MHzFrom these constants and the corresponding values forJ=5/2, 7/2, as measured by [1], the following parameters can be calculated: r ^–3 _d ⁰¹ =0.911(4)a ₀ ^–3 r ^–3 _d ¹² =2.395 (62)a ₀ ^–3 and:=r ^–3 _d ⁰¹ /r ^–3 _d ¹² =0.38(1).     

Effective potentials for spectator groups in molecular systems I. Potential curves and binding energies

Summary A method for representing inactive groups, i.e. spectator groups, in a molecular system by an effective potential is presented. The matrix elements for the spectator's short-range Hartree-Fock potential is stored in an intermediate AO basis, from which it can be transferred into the user basis for the active part of the molecular system. The longer-range of the potential is transferred via a (distributed) multipole expansion. The method is illustrated for the NH₃·X (X=NH₃, H₂O, HF) complexes: binding energies could be reproduced to within 5% by employing the effective NH₃ potential (whereby the lone pair was included in the active system), the entire NH₃·HF potential curve with a depth of 50 kJ/mol is reproduced within 2 kJ/mol if various intermediate basis sets are chosen. Technical details are discussed; the effective potential can directly be introduced in CI calculations.     

Highly Efficient and Reversible Covalent Patterning of Graphene: 2D-Management of Chemical Information

Patterned graphene-functionalization with a tunable degree of functionalization can tailor the properties of graphene. Here, we present a new reductive functionalization approach combined with lithography rendering patterned graphene-functionalization easily accessible. Two types of covalent patterning of graphene were prepared and their structures were unambiguously characterized by statistical Raman spectroscopy together with scanning electron microscopy/energy-dispersive X-ray spectroscopy (SEM-EDS). The reversible defunctionalization processes, as revealed by temperature-dependent Raman spectroscopy, enable the possibility to accurately modulate the degree of functionalization by annealing. This allows for the management of chemical information through complete write/store/erase cycles. Based on our strategy, controllable and efficient patterning graphene-functionalization is no longer a challenge and facilitates the development of graphene-based devices.     

Synergistic Effects of Co and Fe on the Oxygen Evolution Reaction Activity of LaCoxFe1−xO3

In a combined experimental and theoretical study we assess the role of Co incorporation on the OER activity of LaCo_xFe_1−xO₃. Phase pure perovskites were synthesized up to in 0.025/0.050 steps. HAADF STEM and EDX analysis points towards FeO₂-terminated (001)-facets in LaFeO₃, in accordance with the stability diagram obtained from density functional theory calculations with a Hubbard U term (DFT+U). Linear sweep voltammetry conducted in a rotating disk electrode setup shows a reduction of the OER overpotential and a nonmonotonic trend with x, with double layer capacitance measurements indicating an intrinsic nature of activity. This is supported by DFT+U results that show reduced overpotentials for both Fe and Co reaction sites with the latter reaching values of 0.32–0.40 V, ∼0.3 V lower than for Fe. This correlates with a stronger reduction of the binding energy difference of the *O and *OH intermediates towards an optimum value of 1.6 eV for , the OH deprotonation being the potential limiting step in most cases. Significant variations of the magnetic moments of both surface and subsurface Co and Fe during OER demonstrate that the beneficial effect is a result of a concerted action involving many surrounding ions, which extends the concept of the active site.     

The Effect of Water on the 2-Propanol Oxidation Activity of Co-Substituted LaFe1−xCoxO3 Perovskites

Perovskites are interesting oxidation catalysts due to their chemical flexibility enabling the tuning of several properties. In this work, we synthesized LaFe_1−xCo_xO₃ catalysts by co-precipitation and thermal decomposition, characterized them thoroughly and studied their 2-propanol oxidation activity under dry and wet conditions to bridge the knowledge gap between gas and liquid phase reactions. Transient tests showed a highly active, unstable low-temperature (LT) reaction channel in conversion profiles and a stable, less-active high-temperature (HT) channel. Cobalt incorporation had a positive effect on the activity. The effect of water was negative on the LT channel, whereas the HT channel activity was boosted for x>0.15. The boost may originate from a slower deactivation rate of the Co³⁺ sites under wet conditions and a higher amount of hydroxide species on the surface comparing wet to dry feeds. Water addition resulted in a slower deactivation for Co-rich catalysts and higher activity in the HT channel state.