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Journal of Materials Science and Nanotechnology | Volume 2
July 23-25, 2018 | Moscow, Russia
Materials Science and Engineering
International Conference on
Molecular dynamics studies of temperature and grain size effects on mechanical properties of
Nanocrystalline tungsten
Abdellah Tahiri and Idiri Boubeker
Université Hassan II de Casablanca, Morocco
The elastic moduli of nancrystalline tungsten have been
calculated from elastic constants by molecular dynamic
simulation using embedded atom model. The Nanocrystal
containing 16 grains with average diameters ranging from 4,
2 to 8, 9 is made using the Voronoi construction. We have
been interested in the investigation of both temperature and
grain size effects on elastic moduli. A softening of material
was observed with the temperature increase and the grain
size decrease. The anisotropy calculations have shown that
the material becomes more isotropic in high temperature.
The found results are in good agreement with the literature.
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Binary blended small-molecule cathode buffer layer materials for highly efficient organic photovoltaic cells
Chuanlang Zhan
Chinese Academy of Sciences, China
In this topic the concept of design rational, and the photovotaic
properties from a series binary blended small-molecule
cathode buffer layer (CBL) maetrials for fabricating high-
efficiency organic photovoltaic cells has presented. As an
example, I herein show that the old and famous dye, N719,
can be utilized as high-efficiency, alcohol solution-processible
cathode buffer layer (CBL) material. N719 and the binary
N719:PrC 60 MAI CBL, respectively, affords 10.50% and 11.46%
efficiency, single-junction ternary polymer solar cells. The work
function of the Al cathode can be modulated between -3.3
eV and -3.9 eV simply by controlling the binary components
weight ratios, which is due to the weight-ratio dependent re-
arrangment between the four kinds of cations and anions.
With this binary blend as the CBL, a PCE of 11.3% was achieved
from a new nonfullerene small-moelcule acceptor. The
synthesis to this C60 derivative is relatively complicated and this
inevitably increases the cost, while the future application for
commercialization requires low-cost but high performance CBL
materials. We therefore turn a cheap phosphorous derivative,
tetraphenylphosphonium bromide (QPhPBr), with which and
its binary blend with N719 as the CBL, high-efficiency fullerene
and nonfullerene polymer solar cells have been realized
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