相关论文: Transference number in polymer electrolytes: mind …
The thermodynamics and transport properties of polymeric materials are essential for the design of reactors and for the development of polymer deconstruction processes. Existing property prediction tools such as correlations based on…
The calculation of reactive properties is a challenging task in chemical reaction discovery. Machine learning (ML) methods play an important role in accelerating electronic structure predictions of activation energies and reaction…
Ethyl-hexyl substituted polyfluorene (PF) with its high level of molecular disorder can be described very well by one-carrier space-charge-limited conduction for a discrete set of trap levels with energy $\sim$ 0.5 eV above the valence band…
The objective of this study is to evaluate whether the number of requisite training samples can be reduced with the use of various transfer learning models for predicting, for example, the chemical source terms of the data-driven…
The fill factor (FF) is a critical parameter for solar cell efficiency, but its analytical description is challenging due to the interplay between recombination and charge extraction processes. An often overlooked yet significant factor…
Polymer translocation experiments typically involve anionic polyelectrolytes such as DNA molecules driven through negatively charged nanopores. Quantitative modelling of polymer capture to the nanopore followed by translocation therefore…
We investigate rubrene single-crystal field-effect transistors, whose stability and reproducibility are sufficient to measure systematically the shift in threshold voltage as a function of channel length and source-drain voltage. The shift…
We investigate high-Reynolds number turbulence in dilute polymer solutions. We show the existence of a critical value of the Reynolds number which separates two different regimes. In the first regime, below the transition, the influence of…
In this work we are concerned with the inverse problem of the estimation of modeling parameters for a reactive bimolecular transport based on experimental data that is non-uniformly distributed along the interval where the process takes…
We analyze the reflection and transmission coefficients calculated from transfer matrix simulations on finite lenghts of electromagnetic metamaterials, to determine the effective permittivity and permeability. We perform this analysis on…
We propose a theoretical approach to estimate the permeability coefficient of substrates (permeants) for crossing membranes from donor (D) phase to acceptor (A) phase by means of molecular dynamics (MD) simulation. A fundamental aspect of…
Memristive devices, whose resistance can be controlled by applying a voltage and further retained, are attractive as possible circuit elements for neuromorphic computing. This new type of devices poses a number of both technological and…
We consider laminar flow of incompressible electrolytes in long, straight channels driven by pressure and electro-osmosis. We use a Hilbert space eigenfunction expansion to address the general problem of an arbitrary cross section and…
Data scarcity, bias, and experimental noise are all frequently encountered problems in the application of deep learning to chemical and material science disciplines. Transfer learning has proven effective in compensating for the lack in…
Switched reluctance machines (SRMs) have recently become popular in the automotive market as they are a good alternative to the permanent magnet machines commonly employed for an electric powertrain. Lumped parameter thermal networks are…
A Redox Flow Battery (RFB) is one of the promising energy storage systems in power grid. An RFB has many advantages such as a quick response, a large capacity, and a scalability. Due to these advantages, an RFB can operate in mixed time…
Low temperature growth Pr0.7Ca0.3MnO3 (PCMO) thin film showed high performance in electric field induced resistance switching (RS). To understand the micro-mechanism of RS in Metal/PCMO/Metal devices, structure evolution of PCMO under…
Charge transfer is a fundamental process that underlies a multitude of phenomena in chemistry and biology. Recent advances in observing and manipulating charge and heat transport at the nanoscale, and recently developed techniques for…
By using high-quality single crystals, we quantitatively compare the transport properties between LiFeAs and LiFeP superconductors with compensated electron and hole carriers. The low-temperature resistivity follows the Fermi-liquid $AT^2$…
Quantum interference in nano-electronic devices could lead to reduced-energy computing and efficient thermoelectric energy harvesting. When devices are shrunk down to the molecular level it is still unclear to what extent electron…