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    Wyświetlanie 1-10 z 10
    Tytuł:
    Formation of Ammonia Clusters in a Free Molecular Jet of Binary Mixtures
    Autorzy:
    Dąbek, J.
    Powiązania:
    https://bibliotekanauki.pl/articles/2038374.pdf
    Data publikacji:
    2004-10
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    36.40.-c
    47.40.Ki
    Opis:
    The formation of small ammonia clusters is investigated experimentally with a supersonic free molecular jet of NH$\text{}_{3}$-X binary mixtures (X = Ar, He, N$\text{}_{2}$), with a special attention paid to the effect of second species X on the cluster formation. The ion currents of protonated ammonia clusters (NH$\text{}_{3}$)$\text{}_{n}$H$\text{}^{+}$(n=2-6) were measured with a combined cluster source system and a double focussing sector field mass spectrometer. Experiments were made both by changing the species concentration at a constant total pressure and by changing the total pressure with a constant composition of each mixture. The NH$\text{}_{3}$ mole fraction in the tested gas mixtures ranges from 10 to 100% (pure ammonia). It is observed that the formation process of ammonia clusters strongly depends on the nature of the carrier gas and its percentage in the gas mixture. The most likely explanation seems to depend on the unique properties of the free jets; the thermal anisotropy, the spatial cooling, and the mass separation effects.
    Źródło:
    Acta Physica Polonica A; 2004, 106, 4; 453-466
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Quantum Monte Carlo vs. Density Functional Methods for the Prediction of Relative Energies of Small Si-C Clusters
    Autorzy:
    Gonzalez Szwacki, N.
    Majewski, J.
    Powiązania:
    https://bibliotekanauki.pl/articles/1492983.pdf
    Data publikacji:
    2011-11
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    31.15.E-
    36.40.-c
    Opis:
    In the present paper, we assess the accuracy of popular and widely used approaches based on density functional theory by relating them to the most accurate at present quantum Monte Carlo calculations. As the test case, we consider the relative stability of small $Si_{n}C_{m}$ isomers. We find out that none of the studied DFT approaches employing local, semilocal, or even hybrid functionals are able to predict correctly the relative stability of the isomers.
    Źródło:
    Acta Physica Polonica A; 2011, 120, 5; 964-966
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    2D $B_xC_{1-x}$ Layers as Predicted by the Cluster-Expansion Approach
    Autorzy:
    Gonzalez Szwacki, N.
    Powiązania:
    https://bibliotekanauki.pl/articles/1377248.pdf
    Data publikacji:
    2014-11
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    31.15.-p
    36.40.-c
    Opis:
    In this work, the cluster-expansion method combined with extensive first-principles calculations is used for predicting the most stable 2D $B_xC_{1-x}$ (x ≤0.5) layers. For concentrations of B up to ≈ 38%, the honeycomb structure of the boron-carbon compound is preserved, whereas for larger concentrations, the boron atoms tend to form 2D clusters and/or ribbons that are fragments of a triangular boron sheet. Our studies indicate that the incorporation of boron into graphene is energetically unfavorable even for low concentrations of B, however, the graphene-like structure of the $B_xC_{1-x}$ layer may be stabilized by a metallic substrate.
    Źródło:
    Acta Physica Polonica A; 2014, 126, 5; 1215-1217
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Synthesis of Gold Nanoparticles Using Schiff Base
    Autorzy:
    Mihai, S.
    Powiązania:
    https://bibliotekanauki.pl/articles/1399716.pdf
    Data publikacji:
    2013-02
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    05.65.+b
    36.40.-c
    68.65.Ac
    Opis:
    The Schiff base is used for the first time in the preparation of gold nanoparticles by the interaction of tris (triphenylphosphinegold)oxonium tetrafloroborate in acetonitrile medium. The gold nanostructures were characterized using UV-vis spectroscopy, X-ray diffraction, scanning electron microscopy and transmission electron microscopy. The scanning electron microscopy allowed the examination of the morphology of the gold nanostructured film obtained by chemical deposition retains properties of individual particles and remain separated without undergoing aggregation.
    Źródło:
    Acta Physica Polonica A; 2013, 123, 2; 254-255
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Compositions of Al-Based Quasicrystals Interpreted by Cluster Formulae
    Autorzy:
    Chen, H.
    Qiang, J.
    Wang, Y.
    Dong, C.
    Powiązania:
    https://bibliotekanauki.pl/articles/1372748.pdf
    Data publikacji:
    2014-08
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    61.44.Br
    36.40.-c
    71.20.Lp
    Opis:
    It is known previously that bulk metallic glass compositions satisfy cluster formulae $[cluster](glue atom)_{1, 3}$ of 24 valence electrons as deduced from our cluster-resonance model. In the present work, it is further shown that compositions of Al-based binary and ternary quasicrystals are also explained by 24-electron cluster formulae of the types $[icosahedron](glue atom)_{0, 1}$, where the icosahedral cluster is identified from a corresponding crystalline approximant according to dense atomic packing and cluster isolation criteria, and the glue atom site is either vacant for an icosahedral quasicrystal or equal to one for a decagonal quasicrystal. Ternary quasicrystals are formulated with the same formulae as their basic binary ones but the icosahedron shell sites are substituted by third elements. The 24-electron cluster formulae are then the chemical and electronic structural units of quasicrystals, mimicking the molecular formulae of chemical substances.
    Źródło:
    Acta Physica Polonica A; 2014, 126, 2; 446-448
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Dynamics of Argon Clusters in an Intense Laser Pulse: Bloch-Like Hydrodynamic Model
    Autorzy:
    Rusek, M.
    Orłowski, A.
    Powiązania:
    https://bibliotekanauki.pl/articles/2038167.pdf
    Data publikacji:
    2004-07
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    36.40.-c
    32.80.Rm
    42.50.Hz
    07.05.Tp
    Opis:
    The dynamics of small (<55 atoms) argon clusters ionized by an intense, infrared, femtosecond laser pulse is studied using a Bloch-like hydrodynamic model. Evolution of both free electrons and ions formed in the cluster explosion process is examined. Oscillations of the electron cloud in a rare-gas atomic cluster are described as a motion of a fluid obeying Bloch-like hydrodynamic equations. Our theoretical approach includes all possible ionization mechanisms: tunnel (or field) ionization both by an external laser field, and by an internal field due to the space-charge distribution inside the cluster, as well as electron-impact (or collisional) ionization. The results of our simulations are compared both with experimental findings and with predictions of other theoretical models.
    Źródło:
    Acta Physica Polonica A; 2004, 106, 1; 3-12
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Explosion of Atom Clusters in a Free-Electron Intense Laser Pulse
    Autorzy:
    Rusek, M.
    Orłowski, A.
    Powiązania:
    https://bibliotekanauki.pl/articles/2037285.pdf
    Data publikacji:
    2004-05
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    36.40.-c
    32.80.Rm
    42.50.Hz
    07.05.Tp
    Opis:
    The explosion of rare-gas atomic clusters induced by short, intense X-ray pulses generated by a free-electron laser is studied. A numerical approach for an explicitly time-dependent description of small to medium size clusters in 3D is developed within the Thomas-Fermi model. Such an approach, though strongly simplified in comparison to fully quantum-mechanical schemes, is nevertheless expected to yield a qualitatively correct description of the electronic and ionic dynamics of these systems, at a much lower computational cost.
    Źródło:
    Acta Physica Polonica A; 2004, 105, 5; 425-436
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Structure and Relative Stability of Si$\text{}_{n}$ (n=10-16) Clusters
    Autorzy:
    Mahtout, S.
    Belkhir, M. A.
    Powiązania:
    https://bibliotekanauki.pl/articles/2046815.pdf
    Data publikacji:
    2006-06
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    36.40.-c
    61.43.Bn
    61.46.+w
    68.35.Bs
    Opis:
    Ab initio molecular dynamics simulated annealing technique coupled with density functional theory in the local density approximation implemented in Spanish initiative for electronic simulations with thousands of atoms method is employed to search the ground state geometries of silicon clusters containing 10-16 atoms. We found a number of new isomers which are not previously reported. The atoms in all these clusters exhibit pronounced preference for residing on the surface. The binding energies increase while the highest occupied-lowest unoccupied molecular orbital gap generally decreases with the increase in clusters size.
    Źródło:
    Acta Physica Polonica A; 2006, 109, 6; 685-693
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    On the Possibility to Control an Atom Motion in a FCC Iron Nanocluster
    Autorzy:
    Bondarenko, N.
    Nedolya, A.
    Powiązania:
    https://bibliotekanauki.pl/articles/1030620.pdf
    Data publikacji:
    2018-02
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    02.70.Ns
    07.05.Pt
    36.40.-c
    61.46.Hk
    61.46.Bc
    Opis:
    The energy of the isolated iron nanocluster was calculated by molecular mechanics method using the Lennard-Jones potential depending on the position of impurity carbon atom and substitutional atoms of nickel. The cluster included a carbon atom, that drifted from an inside octahedral interstice to a direction ⟨022⟩ to the surface directly or to a tetrahedral interstice in ⟨1̅11⟩ direction and after that in ⟨222⟩ direction to the surface. In addition one of 14 iron atoms was replaced by a nickel atom (or pair atoms), the position of which was changing during simulation. It is shown that there were positions of a nickel atom that significantly affected nanoclusters energy. The calculation results indicated that position of a carbon atom in the octahedral interstice was more energetically favorable than tetrahedral interstice in the case of fcc nanocluster. On the other side, the potential barrier was smaller in the direction ⟨1̅11⟩ than in the direction ⟨022⟩. This indicates that there are two ways for carbon atom to drift to the surface of the nanocluster. The positions of nickel atoms were identified, which significantly affected the height of potential barriers of a tetrahedral and an octahedral interstice and determined the possible direction of carbon atoms drift. This allows manipulating atoms at the surface of nanocluster.
    Źródło:
    Acta Physica Polonica A; 2018, 133, 2; 277-279
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Spectral Investigations of Fullerene-Porphyrin Complexes
    Autorzy:
    Barszcz, B.
    Bogucki, A.
    Laskowska, B.
    Ion, R.
    Graja, A.
    Powiązania:
    https://bibliotekanauki.pl/articles/1813989.pdf
    Data publikacji:
    2007-12
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    33.20.-t
    33.20.Ea
    33.20.Fb
    33.20.Kf
    33.20.Tp
    36.40.-c
    31.15.Ar
    33.15.Bh
    Opis:
    Spectral investigations of someμ-oxo-dimer complexes of trivalent metals (Mn, Fe) with two different ligands: tetraphenylporphyrin and tetranaphthylporphyrin (TNP), and fullerene ($C_{60}$ and $C_{70}$) complexes withμ-oxobis[5,10,15,20-tetraarylporphyrinatometal (III)] $(TXP-M)_2O$ dimer, where M = Fe, Mn and X = phenyl or naphthyl, are presented. Discussion of the main electronic and vibrational bands observed in the UV-Vis-IR and Raman spectra of both classes of fullerene-porphyrin systems is given. Experimental data are completed with the quantum chemical calculations of $MnTNP^+$ component.
    Źródło:
    Acta Physica Polonica A; 2007, 112, S; S-143-S-152
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
      Wyświetlanie 1-10 z 10

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