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Blends of carbon nanotubes with conjugated polymer and fullerene derivatives are complex nanocomposite systems, which have recently attracted a great research interest for their photovoltaic ability. Therefore, gaining a better…
The use of eco-friendly materials for the environment has been addressed as a critical issue in the development of systems for renewable energy applications. In this regard, the investigation of organic photovoltaic (OPV) molecules for the…
Novel low-band-gap copolymer oligomers are proposed on the basis of density functional theory (DFT) quantum chemical calculations of photophysical properties. These molecules have an electron donor-accepter (D-A) architecture involving…
The functionalization of semiconducting single-walled carbon nanotubes (SWNTs) with sp$^{3}$ defects that act as luminescent exciton traps is a powerful means to enhance their photoluminescence quantum yield (PLQY) and to add optical…
Single walled carbon nanotubes exhibit advanced electrical and surface properties useful for high performance nanoelectronics. Important to future manufacturing of nanotube circuits is large scale assembly of SWNTs into aligned forms.…
The dissipative particle dynamics (DPD) simulation method has been shown to be a promising tool to study self-assembly of soft matter systems. In particular, it has been used to study block copolymer (BCP) self-assembly. However, previous…
Poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) is widely used to build optoelectronic devices. However, as a hygroscopic water-based acidic material, it brings major concerns for stability and degradation, resulting in…
Density-potential functional theory (DPFT) is an alternative formulation of orbital-free density functional theory that may be suitable for modeling the electronic structure of large systems. To date, DPFT has been applied mainly to quantum…
Most polymers are long-lasting and produced from monomers derived from fossil fuel sources. Bio-based and/or biodegradable plastics have been proposed as a sustainable alternative. Amongst those available, polyhydroxyalkanoate (PHA) shows…
Semiconducting single-walled carbon nanotubes (SWCNTs) have great potential for optoelectronics and photonics, further enhanced by covalent functionalization. However, scalable and controlled surface modification is challenging due to…
Vibrational properties of composites based on single-walled carbon nanotubes (SWNTs) and conducting polymers of the type polyaniline (PANI) and poly (3,4-ethylene dioxythiophene) (PEDOT) are reported. For PANI-functionalized SWNTs, the…
A galvanic displacement reaction-based, room-temperature "dip-and-dry" technique is demonstrated for fabricating selectively solar-absorbing plasmonic nanostructure-coated foils (PNFs). The technique, which allows for facile tuning of the…
As is well known, the ground-state symmetry group of the water dimer switches from its equilibrium $C_{s}$-character to $C_{2h}$-character as the distance between the two oxygen atoms of the dimer decreases below $R_{\rm O-O}\sim 2.5$…
As narrow optical bandgap materials, semiconducting single-walled carbon nanotubes (SWCNTs) are rarely regarded as charge donors in photoinduced charge-transfer (PCT) reactions. However, the unique band structure and unusual exciton…
Polymers have appealing optical, biochemical, and mechanical qualities, including broadband transparency, ease of functionalization, and biocompatibility. However, their low refractive indices have precluded wavelength-scale optical…
In this work we study the reinforcement of polymers by mechanically interlocked derivatives of single-walled carbon nanotubes (SWNTs). We compare the mechanical properties of fibers made of polymers and of composites with pristine…
Black phosphorus (bP) has been recently investigated for next generation nanoelectronic multifunctional devices. However, the intrinsic instability of exfoliated bP (the bP nanoflakes) towards both moisture and air has so far overshadowed…
We report on the development of a novel flexible piezo/pyro-electric nanogenerator (PPNG) that combines a uniform film of poly(vinylidene fluoride) (PVDF) infiltrated over vertically supported SiO2 nanowires (NWs) to enhance both…
We have studied both experimentally and theoretically the surface pressure isotherms of copolymers of polystyrene-polyethyleneoxide (PS-PEO) at the air-water interface. The SCMF (single chain mean-field) theory provides a very good…
One of the major limitation of standard top-down technologies used in today's neuromorphic engineering is their inability to map the 3D nature of biological brains. Here, we show how bipolar electropolymerization can be used to engineer 3D…