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排序方式: 共有117条查询结果,搜索用时 46 毫秒
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A. Simon M. Bcker R. W. Henn C. Felser R. K. Kremer Hj. Mattausch A. Yoshiasa 《无机化学与普通化学杂志》1996,622(1):123-137
Superconductivity in Rare Earth Metal Carbide Halides of the Type SE2X2C2 The metallic nature of the carbide halides Y2X2C2 is due to Y? C covalency. The superconductivity of the compounds is attributed to a pairwise attraction of conduction electrons by C2-π* states at the Fermi level. The hypothesis is followed by experiments and band structure calculations. – Neutron powder diffraction reveals d(C? C) = 128(1) pm for Y2Br2C2. X-ray single crystal investigations on Y2Br2C2 and Y2I1.5Br0.5C2 show a characteristic variation of the coordination of the C2 unit. Systematic changes of the average halide radius in Y2(X,X′)2C2 (X,X′ = Br, Cl I, Cl and I, Br) lead to a monotonic increase of Tc = 2.3 K (X = Cl) via Tc = 5.05 K (X = Br) to a maximum Tc = 11.2 K for Y2I1.6Br0.4C2. No isotope effect for 12C/13C could be detected. Photoelectron spectra of Y2Br2C2 (excitation energies between 40 and 140 eV) are compared with the results of band structure calculations (LMTO, E.H.). The electronic structure reveals two bands crossing the Fermi level. One of them has C2-π*-Y-dxz,yz character and exhibits a saddle-point at EF. The other intersects the Fermi level with large dispersion and has exclusively Y-d character at the crossing point. The results are discussed with respect to theoretical models (van Hove singularity, local pairs and itinerant electrons). 相似文献
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G. Maurin D. Plant S. Devautour-Vinot A. Nicolas F. Henn J. C. Giuntini 《The European physical journal. Special topics》2007,141(1):113-116
Molecular Dynamics simulations have been carried out to
address the question of cation migration upon adsorption of methanol in NaY
Faujasite system as a function of the loading. It has been shown that at low
and intermediate loadings, SII cations can migrate toward the center of the
supercage due strong interaction with the adsorbates, followed by hopping of
SI' cations from the sodalite cage into the supercage to fill vacant SII
sites. SI cations mainly remain trapped in their initial sites whatever the
loading. At higher loading, only limited motion is observed for SII cations
due to steric effects induced by the adsorbates within the supercage. These
simulated results are in good agreement with those extracted by Complex
Impedance Spectroscopy measurements, which provided the evolution of the
number of extraframework cations in the different crystallographic sites as
a function of the treatment temperature. 相似文献
46.
Stannylethynyl ethers react with acyl halides or some elemental halides under substitution of the stannyl group; the carbonyl group of ketenes insert into the single bond between the acetylenic carbon atom and the stannyl group. 相似文献
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R. W. Henn Th. Gulden W. Schnelle R. K. Kremer A. Simon 《Czechoslovak Journal of Physics》1996,46(Z2):641-642
We characterise the superconducting state of the binary carbide YC2 by means of magnetisation and specific heat measurements. The thermodynamic properties reveal weak coupling superconductivity
close to the type I limit (κGL ≈ 0.8). The specific heat data in the superconducting state, as well as the12C/13C-isotope shift are in excellent agreement with weak coupling BCS predictions. 相似文献
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