985 resultados para HOMO energy levels


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Aside of size and shape, the strain induced by the mismatch of lattice parameters between core and shell in the nanocrystalline regime is an additional degree of freedom to engineer the electron energy levels. Herein, CdS/ZnS core/shell nanocrystals (NCs) with shell thickness up to four monolayers are studied. As a manifestation of strain, the low temperature radiative lifetime measurements indicate a reduction in Stokes shift from 36 meV for CdS to 5 meV for CdS/ZnS with four monolayers of overcoating. Concomitant crossover of S- and P-symmetric hole levels is observed which can be understood in the framework of theoretical calculations predicting flipping the hierarchy of ground hole state by the strain in CdS NCs. Furthermore, a nonmonotonic variation of higher energy levels in strained CdS NCs is discussed.

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The reaction 32S(3He, α) 31S has been used to locate 42 levels in 31S. For 11 of the first 17 levelsn-values have been determined. The first 6 excited states of 31S have been studied by applying the particle-gamma correlation method of Litherland and Ferguson (their Method II) to the reaction 32S(3He, αγ) 31S. The resulting spins and parities are: EX, Jπ = 1.25 MeV, 3/2+; 2.23 MeV, 5/2+; 3.08 MeV, 1/2+; 3.29 MeV, 5/2+, 3/2+; 3.35 MeV, 7/2, 3/2; 3.44 MeV, 3/2+. Mixing and branching ratios have also been determined. The ground state Q-value for the reaction 32S(3He, α)31S has been measured to be 5.538 ± 0.006 MeV. Analysis of the spectra of the reaction 32S(3He, α)33Cl which were obtained as a by-product of the spectra of the reaction 32S(3He, α) 31S located levels in 33Cl at the following excitation energies: 0, 810 ± 9, (1978 ± 14), 2351 ± 9, 2686 ± 8, 2848 ± 9 (a known doublet), 2980 ± 9, and 4119 ± 10 keV. The 2.0 MeV level was only weakly populated, and to confirm its existence the reaction 36Ar(p, α)33Cl has been studied. In this reaction the 2.0 MeV level was strongly populated and the measured excitation energy was 1999 ± 20 keV. The experimental results for 31S and 33Cl are compared with their analogs and with nuclear model predictions.

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In view of recent interest in the Cl37 (ʋ solar’e-)Ar37 reaction cross section, information on some aspects of mass 37 nuclei has been obtained using the K39 (d, ∝) Ar37 and Cl35 (He3, p) Ar37 reactions. Ar37 levels have been found at 0, 1.41, 1.62, 2.22, 2.50, 2.80, 3.17, 3.27, 3.53, 3.61, 3.71, (3.75), (3.90), 3.94, 4.02, (4.21), 4.28, 4.32, 4.40, 4.45, 4.58, 4.63, 4.74, 4.89, 4.98, 5.05, 5.10, 5.13, 5.21, 5.35, 5.41, 5.44, 5.54, 5.58, 5.67, 5.77, and 5.85 MeV (the underlined values correspond to previously tabulated levels). The nuclear temperature calculated from the Ar37 level density is 1.4 MeV. Angular distributions of the lowest six levels with the K39 (d, ∝) Ar37 reaction at Ed = 10 MeV indicate a dominant direct interaction mechanism and the inapplicability of the 2I + 1 rule of the statistical model. Comparison of the spectra obtained with the K39 (d, ∝) Ar37 and Cl35 (He3, p) Ar37 reactions leads to the suggestion that the 5.13-MeV level is the T = 3/2 Cl37 ground state analog. The ground state Q-value of the Ca40 (p, ∝) K37 reaction has been measured: -5179 ± 9 keV. This value implies a K37 mass excess of -24804 ± 10 keV. Description of a NMR magnetometer and a sixteen-detector array used in conjunction with a 61-cm double-focusing magnetic spectrometer are included in appendices.

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A review of the theory of electron scattering indicates that low incident beam energies and large scattering angles are the favorable conditions for the observation of optically forbidden transitions in atoms and molecules.

An apparatus capable of yielding electron impact spectra at 90° with incident electron beam energies between 30 and 50 electron volts is described. The resolution of the instrument is about 1 electron volt.

Impact spectra of thirteen molecules have been obtained. Known forbidden transitions to the helium 23S, the hydrogen b3Ʃ+u, the nitrogen A3Ʃ+u, B3πg, a’πg, and C3πu, the carbon monoxide a3π, the ethylene ᾶ3B1u, and the benzene ᾶ3B1u states from the corresponding ground states have been observed.

In addition, singlet-triplet vertical transitions in acetylene, propyne, propadiene, norbornadiene and quadricyclene, peaking at 5.9, 5.9, 4.5, 3.8, and 4.0 ev (±0.2 ev), respectively, have been observed and assigned for the first time.

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