5,089 research outputs found
On-surface and Subsurface Adsorption of Oxygen on Stepped Ag(210) and Ag(410) Surfaces
The adsorption of atomic oxygen and its inclusion into subsurface sites on
Ag(210) and Ag(410) surfaces have been investigated using density functional
theory. We find that--in the absence of adatoms on the first metal
layer--subsurface adsorption results in strong lattice distortion which makes
it energetically unfavoured. However subsurface sites are significantly
stabilised when a sufficient amount of O adatoms is present on the surface. At
high enough O coverage on the Ag(210) surface the mixed on-surface + subsurface
O adsorption is energetically favoured with respect to the on-surface only
adsorption. Instead, on the Ag(410) surface, at the coverage we have considered
(3/8 ML), the existence of stable terrace sites makes the subsurface O
incorporation less favourable. These findings are compatible with the results
of recent HREEL experiments which have actually motivated this work.Comment: 8 pages, 4 figures and 1 tabl
A Random Multifractal Tilling
We develop a multifractal random tilling that fills the square. The
multifractal is formed by an arrangement of rectangular blocks of different
sizes, areas and number of neighbors. The overall feature of the tilling is an
heterogeneous and anisotropic random self-affine object. The multifractal is
constructed by an algorithm that makes successive sections of the square. At
each -step there is a random choice of a parameter related to the
section ratio. For the case of random choice between and we
find analytically the full spectrum of fractal dimensions
Anisotropy and percolation threshold in a multifractal support
Recently a multifractal object, , was proposed to study percolation
properties in a multifractal support. The area and the number of neighbors of
the blocks of show a non-trivial behavior. The value of the
probability of occupation at the percolation threshold, , is a function
of , a parameter of which is related to its anisotropy. We
investigate the relation between and the average number of neighbors of
the blocks as well as the anisotropy of
Electron-vibration coupling constants in positively charged fullerene
Recent experiments have shown that C60 can be positively field-doped. In that
state, fullerene exhibits a higher resistivity and a higher superconducting
temperature than the corresponding negatively doped state. A strong
intramolecular hole-phonon coupling, connected with the Jahn-Teller effect of
the isolated positive ion, is expected to be important for both properties, but
the actual coupling strengths are so far unknown. Based on density functional
calculations, we determine the linear couplings of the two a_g, six g_g, and
eight h_g vibrational modes to the H_u HOMO level of the C60 molecule. The
couplings predict a D_5 distortion, and an H_u vibronic ground state for C60^+.
They are also used to generate the dimensionless coupling constant
which controls the superconductivity and the phonon contribution to the
electrical resistivity in the crystalline phase. We find that is 1.4
times larger in positively-charged C60 than in the negatively-doped case. These
results are discussed in the context of the available transport data and
superconducting temperatures. The role of higher orbital degeneracy in
superconductivity is also addressed.Comment: 22 pages - 3 figures. This revision includes few punctuation
corrections from proofreadin
A novel strategy for combination of clofarabine and pictilisib is synergistic in gastric cancer
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