相关论文: Bridge Hopping on Conducting Polymers in Solution
We derive an explict bias dependent expression for electron transfer reaction rate from a solvated redox to a electrode through a bridged molecule of arbitrary length. The interaction of the solvated redox with the solvent is modelled as a…
By using a combination of detailed experimental studies and simple theoretical arguments, we identify a novel mechanism characterizing the hopping transport in the Mott insulating phase of Ca$_{2-x}$Sr$_x$RuO$_4$ near the metal-insulator…
We consider directed semiflexible polymers embedded in a fluctuating surface which is governed by either surface tension or bending rigidity. The attractive interactions induced by the fluctuations of the surface reduce the rigidity of the…
We perform numerical simulations of an active fully flexible self-avoiding polymer as a function of the quality of the embedding solvent described in terms of an effective monomer-monomer interaction. Specifically, by extracting the Flory…
We consider a prototype polyene chain: donor-$\pi$(bridge)-acceptor. The distance between the donor and the acceptor is varied by increasing the number of bridged atoms and rate of electron transfer, k$_{et}$ is studied for a series of…
Polymer behavior in mixed solvents often exhibits intriguing phenomena, such as cosolvency, where a polymer that collapses in two individually poor solvents becomes soluble in their mixture. In this study, we employ a combination of…
The first-principles simulation of the electronic structure of organic semiconductors in solution poses a number of challenges that are not trivial to address simultaneously. In this work, we investigate the effects and the mutual interplay…
Thermal conductivity of aligned polymer molecules can be exceptionally high along the alignment direction due to energy transport through strong covalent bonds. At the same time, it is highly sensitive to molecular conformation, varying by…
Recent advances in experimental and computational techniques have allowed for an accurate description of the adsorption of ionic liquids on metallic electrodes. It is now well established that they adopt a multi-layered structure, and that…
Higher-order Van Hove singularities in strongly correlated electron systems provide a fertile ground for emergent electronic orders and superconductivity. This study investigates the interplay between magnetic fluctuations and…
We explore the critical behaviour of two and three dimensional lattice models of polymers in dilute solution where the monomers carry a magnetic moment which interacts ferromagnetically with near-neighbour monomers. Specifically, the model…
The microscopic nature of an insulating state in the vicinity of a superconducting state, in the presence of disorder, is a hotly debated question. While the simplest scenario proposes that Coulomb interactions destroy the Cooper pairs at…
Cononsolvency occurs when two miscible, competing good solvents for a polymer are mixed, resulting in a loss of solubility. In this study, we demonstrate through simulations, supported by theory, that cononsolvency can be driven solely by…
We have discovered unusual behavior of polymer coils in a binary solvent (nitroethane+isooctane) near the critical temperature of demixing. The exceptionally close refractive indices of the solvent components make the critical opalescence…
Successive quantum transitions in an intermediate regime are shown to exist between the superfluid and Mott insulating states for interacting bosonic atoms in one dimension with a trapping potential. These transitions, which are caused by…
Many complex wetting behaviors of fibrous materials are rooted in the behaviors of individual droplets attached to pairs of fibers. Here, we study the splitting of a droplet held between the tips of two cylindrical fibers. We discover a…
We study localization phenomena in two dimensional systems of charged particles in the presence of a metallic ground plane with a particular focus on the superconductor-insulator transition. The ground plane introduces a screening of the…
Near-room-temperature electronic transport of annealing induced semiconducting crystallites embedded within its amorphous counterpart is treated within the effective-medium approach. As such, the mixtures transport coefficients become…
Empirical evidence in heavy fermion, pnictide, and other systems suggests that unconventional superconductivity appears associated to some form of real-space electronic order. For the cuprates, despite several proposals, the emergence of…
By means of extensive replica-exchange simulations of generic coarse-grained models for helical polymers, we systematically investigate the structural transitions into all possible helical phases for flexible and semiflexible elastic…