Determination of the Dielectric Constant of Nanoparticles. 1. Dielectric Measurements of Buckminsterfullerene Solutions

Snyder, Chad R.; Douglas, Jack F.

doi:10.1021/jp002024y

Cited by 14 publications

(6 citation statements)

References 38 publications

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“…In the future, we expect the techniques discussed will be applicable to studying other property-shape relationships 59 as well as quantifying shape or individual particle properties. 60 One potential example is the properties of dimers, trimers, and finite linear arrays of superballs. Interestingly, the intrinsic conductivity of perfectly conducting dimers of cubes is actually lower than that for dimers of spheres and the difference in magnitude is much smaller, roughly 1 %.…”

Section: Discussionmentioning

confidence: 99%

Interplay of particle shape and suspension properties: a study of cube-like particles

et al. 2015

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With advances in anisotropic particle synthesis, particle shape is now a feasible parameter for tuning suspension properties. However, there is a need to determine how these newly synthesized particles with prescribed shapes affect suspension properties and to solve the inverse problem of inferring the shape of particles from property measurements. Either way, accurate suspension property predictions are required. Towards this end, we calculated a set of dilute suspension properties for a family of cube-like shapes that smoothly interpolate between spheres and cubes. Using three conceptually different methods, we numerically computed the electrical properties of particle suspensions, including the intrinsic conductivity of perfect conductors and insulators. We also considered hydrodynamic properties relevant to particle solutions including the hydrodynamic radius, the intrinsic viscosity and the intrinsic solvent diffusivity. Additionally, we determined the second osmotic virial coefficient using analytic expressions along with numerical integration. As the particles became more cube-like, we found that all of the properties investigated become more sensitive to particle shape.

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Section: Discussionmentioning

confidence: 99%

Interplay of particle shape and suspension properties: a study of cube-like particles

et al. 2015

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“…In P3HT/fullerene-based heterojunctions the characteristic length of each domain is on the order of 10 nm. If we assume that layers of P3HT and C60 are arranged in an ideal superlattice where each domain is 10 nm long and that P3HT polarization is perpendicular to the domain interface, we obtain a potential drop in the C60 domain of around 0.9 V at low temperature and around 0.5 V at room temperature (relative permittivity of C60 is taken to be 3.6). These are significant values of potential drop that should strongly affect the performance of bulk heterojunction-based devices.…”

Section: Resultsmentioning

confidence: 99%

Spontaneous Polarization Induced by Side Chains in Ordered Poly(3-hexylthiophene)

Mladenović

Vukmirović

2016

J. Phys. Chem. C

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We have found that ordered poly(3-hexylthiophene) (P3HT) exhibits spontaneous polarization along the backbone direction. This effect is caused by the lack of inversion symmetry due to head-to-tail side-chain arrangement. We have also shown that spontaneous polarization in ordered P3HT keeps significant values even at room temperature when the effects of thermal disorder are important. Consequently, it has a strong effect on electronic properties of the material. For example, at the interface between the crystalline and amorphous domain in P3HT, the electric field caused by spontaneous polarization confines the delocalized HOMO state to one side of the crystalline domain.

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“…Ratios of such properties provide valuable information about topology and rigidity. Alternatively, we can use this type of measurement to determine the properties of the particle in comparison to the background matrix if we know the particle (e.g, conductivity) shape [107]. Finally, [ σ ] is basic input information into the General Effective Medium (GEM) Theory [39], which allows for the estimation of the conductivity of composites beyond the dilute regime.…”

Section: Discussionmentioning

confidence: 99%

Intrinsic conductivity of carbon nanotubes and graphene sheets having a realistic geometry

Vargas–Lara

Hassan

Garboczi

et al. 2015

The Journal of Chemical Physics

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The addition of carbon nanotubes (CNTs) and graphene sheets (GSs) into polymeric materials can greatly enhance the conductivity and alter the electromagnetic response of the resulting nanocomposite material. The extent of these property modifications strongly depends on the structural parameters describing the CNTs and GSs, such as their shape and size, as well as their degree of particle dispersion within the polymeric matrix. To model these property modifications in the dilute particle regime, we determine the leading transport virial coefficients describing the conductivity of CNT and GS composites using a combination of molecular dynamics, path–integral, and finite–element calculations. This approach allows for the treatment of the general situation in which the ratio between the conductivity of the nanoparticles and the polymer matrix is arbitrary so that insulating, semi–conductive, and conductive particles can be treated within a unified framework. We first generate ensembles of CNTs and GSs in the form of self–avoiding worm–like cylinders and perfectly flat and random sheet polymeric structures by using molecular dynamics simulation to model the geometrical shapes of these complex–shaped carbonaceous nanoparticles. We then use path-integral and finite element methods to calculate the electric and magnetic polarizability tensors (αE, αM) of the CNT and GS nanoparticles. These properties determine the conductivity virial coefficient [σ] in the conductive and insulating particle limits, which are required to estimate [σ] in the general case in which the conductivity contrast Δ between the nanoparticle and the polymer matrix is arbitrary. Finally, we propose approximate relationships for αE and αM that should be useful in materials design and characterization applications.

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Determination of the Dielectric Constant of Nanoparticles. 1. Dielectric Measurements of Buckminsterfullerene Solutions

Cited by 14 publications

References 38 publications

Interplay of particle shape and suspension properties: a study of cube-like particles

Interplay of particle shape and suspension properties: a study of cube-like particles

Spontaneous Polarization Induced by Side Chains in Ordered Poly(3-hexylthiophene)

Intrinsic conductivity of carbon nanotubes and graphene sheets having a realistic geometry

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