Messungen des γi-Koeffizienten an reinen Mo- und Fe-Oberflächen in Edelgasen

Es werden Messungen des γ_i-Koeffizienten an reinen Katodenoberflächen für die Kombinationen Mo—Ne⁺, Ar⁺, Kr⁺, Xe⁺ und Fe—Ne⁺ mitgeteilt, die mit einer von Varney angegebenen dynamischen Methode im Bereich 30 ? X/p₀ ? 400 V Torr^?1 cm^?1 durchgeführt wurden. Es wird gezeigt, daß die mit dieser Methode im Gas gemessenen γ_i-Werte sich aus den Vakuumwerten von Hagstrum ableiten lassen, wenn

• 1 . die Rückstreuung der emittierten Elektronen und
• 1 . die Molekülionenbildung

berücksichtigt werden. Die Nachlieferung von Elektronen durch Photonen (δ/α) und Metastabile (ω/α) wird unter Verwendung von ω/α-Werten aus Zündspannungsmessungen abgeschätzt. Measurements of the γ_i-coefficient on pure cathode surfaces are described for the combinations Mo—Ne⁺, Ar⁺, Kr⁺, Xe⁺ und Fe—Ne⁺ with a dynamic method according to Varney. These measurements were carried out in the range of 30 ? X/p₀ ? 400 V Torr^?1 cm^?1. It is shown that the measured values correspond to these of Hagstrum obtained in vacuum, if

• 1 . backscattering of emitted electrons and
• 1 . formation of molecules

are taken into account. An estimation is made for electron emission coefficients of photens (δ/α) and metastables (?/α) by calculated ω/α-coefficients from measurements of ignition voltage.     

The lowest electronic states of Ne2 +, Ar2 + and Kr2 +: comparison of theory and experiment

Non-relativistic configuration interaction (CI) ab initio calculations using large basis sets have been carried out to determine the potential curves of the first electronic states of Ne₂ ⁺, Ar₂ ⁺ and Kr₂ ⁺. The spin—orbit interaction was treated assuming that the spin—orbit coupling constant is independent of the internuclear separation (R). For Ar₂ ⁺, calculated dissociation energies and equilibrium separations are in good agreement with experimental results. The calculations for Ne₂ ⁺ suggest that the lowest vibrational level of the I(1/2u) ground state observed by threshold photoelectron spectroscopy by Hall et al. [1995, J. Phys. B: At. molec. opt. Phys., 28, 2435] and assigned to either ν = 0 or ν = 2 actually corresponds to ν = 4. The calculations also predict the I(1/2g) state of Ne₂ ⁺ and Ar₂ ⁺ to possess a double-well potential and that of Kr₂ ⁺ to be repulsive at short range and to only possess a single shallow well at large internuclear separation. The ab initio calculations provide an explanation for the observation made by Yoshii et al. [2002, J. chem. Phys., 117, 1517] that Kr₂ ⁺ and Xe₂ ⁺ dissociate after photoemission from the II(1/2u) state to the I(1/2g) state whereas Ar₂ ⁺ does not.     

Zur Modulation des Wandstromes in der geschichteten positiven Säule der Neon-Glimmentladung

It is shown, that the wall current of the striated positive column in a neon low pressure glow discharge is modulated with the frequency of the moving striations. There is a phase shift between wall currents of electrons and ions (～π/2–3/4π), A mass-spectrometric analysis of the ion currents shows Ne⁺ and Ne₂⁺ ions, both currents are modulated. The modulation factor of the electron and ion current reaches values near 100% and 50%, repectively. The behaviour of the modulated wall currents may by explained by the potential oscillations in the Langmuir sheath near the wall.     

Anisotropie dipole polarizabilities and quadrupole moments of open-shell atoms and ions: O,F, S,Cl, Se,Br and isoelectronic systems

Quadrupole moment and dipole polarizability tensor components are calculated at the correlated complete-active-space self-consistent-field (CASSCF) and complete-active-space perturbation-theory (CASPT) levels for ²P states of O^?, F, Ne⁺, Na²⁺, S^?, Cl, Ar⁺, 98, K²⁺ , Se^?, Br, Kr⁺, Rb²⁺ and ³P, ¹D, ¹S states of O^?, F⁺, Ne²⁺, Na³⁺, S, Cl⁺, Ar²⁺, K³⁺, Se, Br⁺, Kr²⁺, Rb³⁺. Relativistic corrections are included perturbatively for the 34- and 35-electron systems.     

Production and loss of N 2 + , Ne+ and Ne 2 + during the decay period of plasmas produced in neon-nitrogen mixtures

Studies of the time dependencies of the number density of N ₂ ⁺ , Ne⁺ and Ne ₂ ⁺ ions have been made during the decay period of plasmas produced in neon containing various concentrations of nitrogen molecules. Reaction rate constants were obtained for N ₂ ⁺ +N₂+Ne→N ₄ ⁺ +Ne((1.2±0.2)×10^?29 cm⁶ sec^?1) and Ne⁺+N₂→N ₂ ⁺ + Ne ((2.9±0.3) × 10^?12 cm³ sec^?1). The ambipolar diffusion coefficient of N ₂ ⁺ in neon was found to beD _a p _o =350±20 cm² sec^?1 Torr.     

Characterization of a LiCoO2 thin film cathode grown by pulsed laser deposition

A highly (003)-oriented pure LiCoO₂ thin film cathode, without Co₃O₄ impurities, was grown on a stainless steel substrate by pulsed laser deposition and characterized by electrochemical testing, scanning electron microscopy (SEM), ex situ X-ray diffraction (XRD), Raman and X-ray photoelectron spectroscopy (XPS). The initial reversible discharge capacity of the LiCoO₂ thin film cathode reached 52.5?μAh/cm²µm and capacity loss was about 0.18% per cycle at a current density of 12.74?μA/cm². The chemical diffusion coefficient of the Li⁺ ion was estimated to be about 4.7?×?10^?11?cm²/s from cyclic voltammetric (CV) scans. Ex situ XRD revealed that the spacing of crystalline planes expanded about 0.09?Å when charged to 4.2?V, corresponding to Li_0.5CoO₂, lower than the value for composite powder LiCoO₂ electrodes. XPS results showed that the number of low-coordinated oxygen ions increased relative to the removal of Li⁺ ions.     

Ab initio calculations for propyne and the hydrogen bonded complex NH H C C CH 3 3

The hydrogen-bonded cluster NH₃ …H—C≡C—CH₃ has been investigated by means of the coupled electron pair approximation, making use of a basis set of 198 contracted Gaussian-type orbitals. The calculated equilibrium structure is r _1^e (N—H) = 1?0127 Å, α_e(∠HN…H) = 112?32°, R _1^e (N…H) = 2?3593 Å, r _2^e (acetylenic C—H) = 1?0690 Å, R _2^e (C≡C) = 1?2078 Å, R _3^e (C—C) = 1?4711 Å, r _3^e (C—H) = 1?0894 Å and β_e(∠CCH) = 110?50°. The recommended equilibrium dissociation energy is D _e = 12?4±0?5 kJ mol^-1 and the calculated equilibrium dipole moment is μ_e = – 1?468 D, with the positive end of the dipole at the ammonia protons. Harmonic wavenumbers and absolute infrared intensities for the totally symmetric modes are calculated. Compared with free propyne the acetylenic CH stretching vibration experiences a bathochromic shift of 93 cm^-1 and an intensity enhancement by a factor of 5?5.     

Die EINSTEIN-Gruppe und die Symmetrie-Gruppen der Gravitationstheorie

The transformations x^?α = x^?α(x^β, g_μn?) in the function space of the g_μn?(x^λ) are corresponding to the coordinate transformations x^α = x^α(x^β) with some non-covariant conditions on the g_μn?(x^λ). Therefore, the transformations in the function space are corresponding to subgroups of the EINSTEIN group. The conditions for the g_μn? may be given in the space- time V₄ or on submanifolds (points, curves, surfaces and hypersurfaces) of the V₄. – A special case of the last problem is given by the CAUCHY conditions or by the DIRAC constraints for a special choice of the coordinates on a CAUCHY hypersurface x⁰ = 0. Then, the transformations x^?α = x^?α(x^l, g_rs, p^mn) in the phase space are EINSTEIN transformations preserving the synchronicity for x⁰ → 0.     

Diffusionstheoretische Beschreibung der Dissoziation und des Ionenhaushaltes im schwachionisierten Säulenplasma der Wasserstoffentladung. I. Reaktionsmechanismen — Bilanzgleichungssystem und Lösungsmethode

After the discussion of the main reaction mechanisms as ionization, dissociation, dissociative recombination, ion-molecule-reactions and chemical reactions between neutral particles a system of balance equations for the ions H⁺, H₂⁺, H₃⁺, and H₅⁺, for the atoms, for the mixture of neutral particles, for charge neutrality and the discharge current is given in the framework of the diffusion theory. The numerical method for the solution of this system is explained. In the following parts of this paper detailed results of the numerical calculation will be dicussed in comparison with some experimental investigations.     

Condensation Product of 1-Naphthaldehyde and 3-Aminophenol: Fluorescent “on” Probe for Ce3+and “off” Probe for Dichromate (Cr2O72−)

A new probe (Z)-3-((naphthalen-1-ylmethylene)amino)phenol has been synthesized by condensation reaction between 1-naphthaldehyde and 3-aminophenol for the fluorescent sensing of Ce³⁺ by “on” mode and dichromate (Cr₂O₇^2?) by “off” mode. Metal ions—Ag⁺, Al³⁺, As³⁺, Ba²⁺, Ca²⁺, Cd²⁺, Ce⁴⁺, Co²⁺, Cr³⁺, Cr⁶⁺, Cu²⁺, Fe²⁺, Fe³⁺, Hg²⁺, K⁺, La⁺, Li⁺, Mg²⁺, Mn²⁺, Na⁺, Ni²⁺, Pb²⁺, Zn²⁺and anions Br^?, C₂O₄^2?, CH₃COO^?, Cl^?, CO₃^2?, F^?, H₂PO₄^?, HCO₃^?, HF₂^?, HPO₄^2?, I^?, MnO₄^?, NO₃^?, OH^?, S^2?, S₂O₃^2?, SCN^?, SO₄^2? do not interfere. The limit of detection (LOD) for sensing Ce³⁺ and Cr₂O₇^2? ions are 1.286?×?10^–7 M and 6.425?×?10^–6 M, respectively.

     

High resolution infrared study of the parallel band ν3 of chloroform CH35 Cl3

The infrared spectrum of chloroform in the region of the parallel fundamental band ν₃ around 367 cm^?1 has been measured with a Fourier spectrometer at a resolution of 0.001 cm^?1. An isotopically pure sample of CH³⁵Cl₃ was used. More than 5000 lines were assigned in the ν₃ band. A reanalysis of the ground state constants was performed by combining 1671 combination differences from this work, 712 differences from a previous study of the ν₂ band, and 80 millimetre wave lines from the literature. In the analysis of the ν₃ band, a model of an unperturbed symmetric top band was applied. The data were fitted with a standard deviation of 0.18 × 10^?3 cm^?1, and the following leading parameters were obtained: ν₀ = 367.295 550(8) cm^?1, B ₃—B ₀ = ?77.058(4) × 10^?6 cm^?1 and C ₃—C ₀ = ?18.600(11) × 10^?6 cm^?1. In addition, several hot bands have been studied. The isotopic effects were studied also by analysing spectra of the isotopically natural sample.     

Low-lying normal parity excitations in the 208Pb(p,p')208Pb reaction at Ep = 61.2 MeV

Differential cross sections for the excitation of the 3₁^?, 5₁^?, 5₂^?, 7₁^?, 2₁⁺, 4₁⁺, 6₁⁺ levels in ²⁰⁸Pb by 61.2 MeV protons have been measured. The results of collective-model and microscopic-model calculations are compared with the data. A “realistic” two-body interaction is used in the microscopic calculations. Transition densities obtained from electron scattering data and particle-hole wave functions are both considered. The results obtained using the electron scattering transition densities are quite good and provide an indication that ?_n ≧ ?_p for these excitations. The results obtained using the theoretical transition densities give only qualitative reproduction of the data. Finally, some discrepancies in earlier analyses of ²⁰⁸Pb+p data are resolved.     

Fourier Transform Spectroscopy of theYΣ–XΠiTransition of CuO

TheY²Σ⁺–X²Π_inear-infrared electronic transition of CuO was observed at high resolution for the first time. The spectrum was recorded with the Fourier transform spectrometer associated with the McMath–Pierce Solar Telescope at Kitt Peak. The excited CuO molecules were produced in a low pressure copper hollow cathode sputter with a slow flow of oxygen. Constants for theY²Σ⁺states of CuO are:T₀= 7715.47765(54) cm⁻¹,B= 0.4735780(28) cm⁻¹,D= 0.822(12) × 10⁻⁶cm⁻¹,H= 0.46(10) × 10⁻¹⁰cm⁻¹, γ = −0.089587(42) cm⁻¹, γ_D= 0.1272(79) × 10⁻⁶cm⁻¹,b_F= 0.12347(22) cm⁻¹, andc= 0.0550(74) cm⁻¹. ImprovedX²Π_iconstants are also presented.     

Structure of the mirror nuclei21Ne and21Na

Theγ-decay of levels in²¹Ne up to 10 MeV excitation energy has been investigated byn — γ coincidence measurements initiated with the¹⁸O(α, nγ) reaction at 12, 13, 14.5 and 15.4 MeV bombarding energies. Spin(-parity) assignments of excited states are obtained by combining then — γ angular correlation measurements performed atE _α=11, 11.82 and 13.6 MeV with a consideration of lifetimes, neutron penetrabilities of the unbound states, and information from the mirror nucleus²¹Na. The resulting values of E_x[keV]?J ^π are as follows: 4525-5⁺, 4686-3⁺, 5431-7⁺, 5549-3⁺, 5819-7^?, 6175-7⁺, 6268-9⁺, 6550-9, 6639-9, 7006-7⁺, 7041-9, 7356-7 or 9, 7422-11^(?), 7648-7⁺, 7981-11 or (7⁺), 8154-9, 8240-11, 8664-9^? or 11 or 13^?, 9401-13^?, 9867-13^? or 15⁺, 9941-13^? or 15 or 17⁺. The assignment of mirror levels in²¹Ne —²¹Na has been extended to the 6175 keV level of²¹Ne. Excitation energies, electromagnetic properties, Gamow?Teller matrix elements and spectroscopic factors of positive parity states are compared with the results of shell-model calculations which employ a unifieds—d shell Hamiltonian and the unrestricted configuration space of the 0d _5/2 —1s _1/2—0d_3/2 shell. Collective properties contained in shell model wave functions are explored up to the termination of bands atJ=17/2 or 19/2. The spectrum of intruder states in²¹Ne is observed to begin with a 5628 keV,J ^π=7/2⁺ state. The 7422, 8664 and 9401 keV levels are assigned as members of previously established negative-parity rotational bands.     

化合物和合金中离子投影射程分布矩的计算(Ⅱ)——轻离子(Z1≤10)的射程分布矩

本文根据离子在固体材料中电子阻止截面的实验资料,给出了低能Li⁺,Be⁺,B⁺,C⁺,N⁺,O⁺,F⁺,Ne⁺等离子在固体中电子阻止截面S_e的经验公式。这些经验公式既能够很好地反映电子阻止本领的Z₁和Z₂振荡、又能正确地给出S_e随离子能量E的变化关系。用这种以实验为基础的S_e经验公式和符合于WHB势的核散射函数,计数了从H⁺到Ne⁺十种轻离子在非晶Al₂O₃,SiO₂,20/25/Nb不锈钢,LiNbO₃和UO₂等材料中的投影射程分布的一次至三次矩。将计算值与近几年的实验测量及其他人的计算结果进行了比较,在低能端,我们计算的平均投影射程R_p与实验符合得更好。 关键词：     

Formation of bubbles and blisters in hydrogen ion implanted polycrystalline tungsten

ABSTRACT

Tungsten (W) has been regarded as one of the most promising plasma facing materials (PFMs) in fusion reactors. The formation of bubbles and blisters during hydrogen (H) irradiation will affect the properties of W. The dependence of implantation conditions, such as fluence and energy, is therefore of great interest. In this work, polycrystalline tungsten samples were separated into two groups for study. The thick samples were implanted by 18?keV H₃⁺ ions to fluences of 1?×?10¹⁸, 1?×?10¹⁹ and 1?×?10²⁰ H⁺/cm², respectively. Another thick sample was also implanted by 80?keV H₂⁺ ions to a fluence of 2?×?10¹⁷ H⁺/cm² for comparison. Moreover, the thin samples were implanted by 18?keV H₃⁺ ions to fluences of 9.38?×?10¹⁶, 1.88?×?10¹⁷ and 5.63?×?10¹⁷ H⁺/cm², respectively. Focused ion beam (FIB) combined with scanning electron microscopy (SEM) and transmission electron microscopy (TEM) were used for micro-structure analysis, while time-of-flight ion mass spectrometry (ToF-SIMS) was used to characterize the H depth profile. It is indicated that bubbles and blisters could form successively with increasing H⁺ fluence. H bubbles are formed at a fluence of ～5.63?×?10¹⁷ H⁺/cm², and H blisters are formed at ～1?×?10¹⁹ H⁺/cm² for 18?keV H₃⁺ implantation. On the other hand, 80?keV H₂⁺ ions can create more trapping sites in a shallow projected range, and thus enhancing the blisters formation with a relatively lower fluence of 2?×?10^17?H⁺/cm². The crack-like microstructures beneath the blisters are also observed and prefer to form on the deep side of the implanted range.     

Ultrathin surface coatings to enhance cycling stability of LiMn2O4 cathode in lithium-ion batteries

Spinel LiMn₂O₄ suffers from severe dissolution when used as a cathode material in rechargeable Li-ion batteries. To enhance the cycling stability of LiMn₂O₄, we use the atomic layer deposition (ALD) method to deposit ultrathin and highly conformal Al₂O₃ coatings (as thin as 0.6–1.2 nm) onto LiMn₂O₄ cathodes with precise thickness control at atomic scale. Both bare and ALD-coated cathodes are cycled at a specific current of 300 mA g^?1 (2.5 C) in a potential range of 3.4–4.5 V (vs. Li/Li⁺). All ALD-coated cathodes exhibit significantly improved cycleability compared to bare cathodes. Particularly, the cathode coated with six Al₂O₃ ALD layers (0.9 nm thick) shows the best cycling performance, delivering an initial capacity of 101.5 mA h?g^?1 and a final capacity of 96.5 mA h?g^?1 after 100 cycles, while bare cathode delivers an initial capacity of 100.6 mA h?g^?1 and a final capacity of only 78.6 mA h?g^?1. Such enhanced electrochemical performances of ALD-coated cathodes are ascribed to the high-quality ALD oxide coatings that are highly conformal, dense, and complete, and thus protect active material from severe dissolution into electrolytes. Besides, cycling performances of coated cathodes can be easily optimized by accurately tuning coating thickness via varying ALD growth cycles.     

Edge emissions of ion-implanted CdS

Edge emissions of CdS crystals implanted with Li⁺, N⁺, Ne⁺ and P⁺ are studied. Li and P are found to form acceptors and give rise to I₁ lines in the blue and donor-acceptor pair recombination emissions in the green. N gives rise to two kinds of I₂ lines (excitons bound to neutral donors) and donor-acceptor pair recombination emissions. An acceptor due to a defect is found in N⁺ and Ne⁺ implanted CdS. The temperature range of thermal treatment where impurity centers are formed is also investigated. The relationship among impurity centers produced by N⁺ implantation is, moreover, discussed based upon the results obtained here and previous works.     

Spectres auger et sections efficaces d'ionisation de la couche L23 du magnésium et de l'aluminium sous impact de protons et d'ions lourds (10–100 keV)

A comparison of Auger structures observed on the energy distributions of secondary electrons emitted from Mg and A1 solid targets bombarded by either light particles (H⁺ and He⁺) or heavy ions (Ne⁺, Ar⁺, …) is presented. With incident protons, it essentially appears a broad peak corresponding to a L₂₃VV transition and a weak shoulder due to the surface and bulk plasmon excitation. The Auger structures obtained with heavy ions are richer and the peaks which compose it are sharper. Such atomic-like structures correspond to Auger transitions from excited (with one or two L₂₃ holes) moving recoiling atoms. The experimental L₂₃ Mg and A1 ionization cross sections were determined from Auger spectra. In H⁺?Mg (or A1) collisions our results are in good agreement with the theoretical values calculated in a PWBA model. In the case of heavy ion-target interactions, we compared the experimental measurements with ionization cross section calculations obtained in a Landau-Zener model.     

The intercalation/deintercalation kinetic studies on the structure-integrated cathode material 0.5Li2MnO3 0.5LiNi0.5Mn0.5O2

A cathode material, 0.5Li₂MnO₃ 0.5LiNi_0.5Mn_0.5O₂, was prepared by citric acid-assisted sol–gel method and its electrochemical performance was investigated. It delivered a charge capacity of 270 mAh g^?1 and a discharge capacity of 189 mAh g^?1 in the first cycle. With the increase of current density from 14 to 28 mA g^?1, the discharge capacity dropped severely to 130 mA g^?1. Obviously, the rate capability of the material was inferior to most of the oxide cathode materials. The diffusion coefficient of this material was calculated to be 6.04?×?10^?12 cm² s^?1 from the results of cyclic voltammetry measurements. Moreover, diffusion coefficients between 3.13?×?10^?12 and 1.22?×?10^?10 cm² s^?1 in the voltage range of 3.8–4.7 V were obtained by capacity intermittent titration technique. This, together with the localized Li₂MnO₃ domains in the crystal structure, may validate the poor rate capability.