4,179 research outputs found
Sn(II)-containing phosphates as optoelectronic materials
We theoretically investigate Sn(II) phosphates as optoelectronic materials
using first principles calculations. We focus on known prototype materials
SnPO (n=2, 3, 4, 5) and a previously unreported compound,
SnPO (n=1), which we find using global optimization structure
prediction. The electronic structure calculations indicate that these compounds
all have large band gaps above 3.2 eV, meaning their transparency to visible
light. Several of these compounds show relatively low hole effective masses
(2-3 m), comparable the electron masses. This suggests potential
bipolar conductivity depending on doping. The dispersive valence band-edges
underlying the low hole masses, originate from the anti-bonding hybridization
between the Sn 5s orbitals and the phosphate groups. Analysis of
structure-property relationships for the metastable structures generated during
structure search shows considerable variation in combinations of band gap and
carrier effective masses, implying chemical tunability of these properties. The
unusual combinations of relatively high band gap, low carrier masses and high
chemical stability suggests possible optoelectronic applications of these
Sn(II) phosphates, including p-type transparent conductors. Related to this,
calculations for doped material indicate low visible light absorption, combined
with high plasma frequencies.Comment: 10 pages, 10 figures, Supplementary informatio
Bismuth
Bismuth—a wonder metal with unique features—plays an important role in the bismuth-related optoelectronic materials. The innovative development of bismuth optoelectronic materials will undoubtedly drive the social development and economic growth in the world towards a glorious future
Direct Patterning of a Cyclotriveratrylene Derivative for Directed Self-assembly of C60
A novel apex-modified cyclotriveratrylene (CTV) derivative with an attached thiolane-containing lipoic acid linker was directly patterned onto gold substrates via dip-pen nanolithography (DPN). The addition of a dithiolane-containing linker to the apex of CTV provides a molecule that can adhere to a gold surface with its bowl-shaped cavity directed away from the surface, thereby providing a surface-bound CTV host that can be used for the directed assembly of guest molecules. Subsequent exposure of these CTV microarrays to C60 in toluene resulted in the directed assembly of predesigned, spatially controlled, high-density microarrays of C60. The molecular recognition capabilities of this CTV template toward C60 provides proof-of-concept that supramolecular CTV scaffolds can be directly patterned onto surfaces providing a foundation for the development of organic electronic and optoelectronic materials
Optical Absorption Characteristics of Silicon Nanowires for Photovoltaic Applications
Solar cells have generated a lot of interest as a potential source of clean
renewable energy for the future. However a big bottleneck in wide scale
deployment of these energy sources remain the low efficiency of these
conversion devices. Recently the use of nanostructures and the strategy of
quantum confinement have been as a general approach towards better charge
carrier generation and capture. In this article we have presented calculations
on the optical characteristics of nanowires made out of Silicon. Our
calculations show these nanowires form excellent optoelectronic materials and
may yield efficient photovoltaic devices
Optical Absorption Characteristics of Silicon Nanowires for Photovoltaic Applications
Solar cells have generated a lot of interest as a potential source of clean
renewable energy for the future. However a big bottleneck in wide scale
deployment of these energy sources remain the low efficiency of these
conversion devices. Recently the use of nanostructures and the strategy of
quantum confinement have been as a general approach towards better charge
carrier generation and capture. In this article we have presented calculations
on the optical characteristics of nanowires made out of Silicon. Our
calculations show these nanowires form excellent optoelectronic materials and
may yield efficient photovoltaic devices
Enhancement of polar phases in PVDF by forming PVDF/SiC nanowire composite
Different contents of silicon carbide (SiC) nanowires were mixed with Poly(vinylidene fluoride) (PVDF) to facilitate the polar phase crystallization. It was shown that the annealing temperature and SiC content affected on the phase and crystalline structures of PVDF/SiC samples. Furthermore, the addition of SiC nanowire enhanced the transformation of non-polar α phase to polar phases and increased the relative fraction of β phase in PVDF. Due to the nucleating agent mechanism of SiC nanowires, the ion-dipole interaction between the negatively charged surface of SiC nanowires and the positive CH2 groups in PVDF facilitated the formation of polar phases in PVDF
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