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Interfacial ultrafast electron migration processes are simulated in finite cluster models of dye-sensitized solar cells within a single active electron approach. Initially, three different donor-acceptor $\pi$-conjugated dyes supported on…

Chemical Physics · Physics 2017-07-06 Gunter Hermann , Felix Witte , Jean Christophe Tremblay

In order to provide an accurate theoretical description of current density voltage (J-V) characteristics of an organic heterojunction device over a wide range of electric fields at various temperatures, it is proposed that an accumulation…

Materials Science · Physics 2009-11-13 S. W. Tsang , M. W. Denhoff , Y. Tao , Z. H. Lu

This paper is the second part of a series of papers about empirical approaches to open circuit voltage (OCV) modeling and its performance comparison in lithium-ion batteries. The first part of the series introduced various sources of…

Systems and Control · Electrical Eng. & Systems 2023-06-30 Prarthana Pillai , James Nguyen , Balakumar Balasingam

Semiconductor devices favor high carrier mobility for reduced Joule heating and high thermal conductivity for rapid heat dissipation. The ability to accurately characterize the motion of charge carriers and heat carriers is necessary to…

Mesoscale and Nanoscale Physics · Physics 2026-03-26 Qichen Song , Sorren Warkander , Samuel C. Huberman

An efficient descriptor model for fast screening of potential materials for solar cell applications is presented. It works for both excitonic and non-excitonic solar cells materials, and in addition to the energy gap it includes the…

We present the results of Monte-Carlo simulations of the charge carrier transport in a disordered molecular system containing spatial and energetic disorders using the dipolar glass model. Model parameters of the material were chosen to fit…

Materials Science · Physics 2013-03-20 S. V. Novikov , A. P. Tyutnev

Simulations of charge transport in amorphous semiconductors are often performed in microscopically sized systems. As a result, charge carrier mobilities become system-size dependent. We propose a simple method for extrapolating a…

Statistical Mechanics · Physics 2016-08-03 Pascal Kordt , Thomas Speck , Denis Andrienko

While cadmium telluride (CdTe) thin films are being used in solar cell prototyping for decades, the recent advent of two-dimensional (2D) materials challenges the fundamental limit for thickness of conventional CdTe layers. Here, we report…

Materials Science · Physics 2021-03-17 Dinesh Yadav , Fabian Pauly , Maxim Trushin

A three-dimensional model of a single-layer lithium-ion pouch cell is presented which couples conventional porous electrode theory describing cell electrochemical behaviour with an energy balance describing cell thermal behaviour.…

Applied Physics · Physics 2020-05-12 Robert Timms , Scott G. Marquis , Valentin Sulzer , Colin Please , S. Jon Chapman

The effective conductivity determines the reciprocal of the transport resistance, the dominant loss of fill factor in organic solar cells. We experimentally determine the dependence of effective conductivity on its electron and hole…

Materials Science · Physics 2025-08-18 Chen Wang , Toni Seiler , Doyoung Sun , Safa Shoaee , Maria Saladina , Carsten Deibel

This paper presents the current state of mathematical modelling of the electrochemical behaviour of lithium-ion batteries as they are charged and discharged. It reviews the models developed by Newman and co-workers, both in the cases of…

Chemical Physics · Physics 2020-02-04 Giles W Richardson , Jamie M Foster , Rahifa Ranom , Colin P Please , Angel M Ramos

We consider charge transport in nanopores where the dielectric constant inside the nanopore is much greater than in the surrounding material, so that the flux of the electric fields due to the charges is almost entirely confined to the…

Mathematical Physics · Physics 2015-05-18 S. R. Holcombe , E. R. Smith

We present a unified calculation method for variable range hopping transport with a varying charge concentration and a varying applied electrical field. We demonstrate that the major differences between the transport properties measured at…

Statistical Mechanics · Physics 2007-05-23 Yohai Roichman , Nir Tessler

The conductivity of organic semiconductors is measured {\it in-situ} and continuously with a bottom contact configuration, as a function of film thickness at various gate voltages. The depletion layer thickness can be directly determined as…

Materials Science · Physics 2009-11-10 Manabu Kiguchi , Manabu Nakayama , Toshihiro Shimada , Koichiro Saiki

In the present work, a light-controlled device cell is established based on the dye-sensitized solar cell using nanocrystalline TiO2 films. Voltage-current curves are characterized by three types of transport behaviors: linear increase,…

Chemical Physics · Physics 2015-06-11 X. Q. Wang , C. B. Cai , Y. F. Wang , W. Q. Zhou , Y. M. Lu , Z. Y. Liu

Non-planar solar-cell devices have been promoted as a means to enhance current collection in absorber materials with charge-transport limitations. This work presents an analytical framework for assessing the ultimate performance of…

Materials Science · Physics 2014-07-10 T. Kirkpatrick , M. J. Burns , M. J. Naughton

The paper concerns the multiscale modeling of a myelinated axon. Taking into account the microstructure with alternating myelinated parts and nodes Ranvier, we derive a nonlinear cable equation describing the potential propagation along the…

Analysis of PDEs · Mathematics 2018-05-07 Carlos Jerez-Hanckes , Irina Pettersson , Volodymyr Rybalko

This study examines the discharge behaviour of a cylindrical LiFeS2 cell to evaluate the parameters that can be used to predict and estimate the nonlinear dynamic response of a battery. A linear model is developed to simulate the discharge…

Systems and Control · Electrical Eng. & Systems 2023-11-07 Khaled I Alsharif , Alexander H Pesch , Vamsi Borra , Pedro Cortes , Eric MacDonald , Frank X Li , Kyosung Choo

A theory is presented which quantitatively accounts for the cooperative adsorption of cationic surfactants to anionic polyelectrolytes. For high salt concentration we find that the critical adsorption concentration (CAC) is a bilinear…

Soft Condensed Matter · Physics 2009-11-13 Paulo S. Kuhn , Yan Levin , Marcia C. Barbosa , Ana Paula Ravazzolo

Photocarrier transport and extraction in GaAsSb/GaAsN type-II quantum well superlattices are investigated by means of inelastic quantum transport calculations based on the non-equilibrium Green's function formalism. Evaluation of the local…

Mesoscale and Nanoscale Physics · Physics 2018-06-13 Urs Aeberhard , Alicia Gonzalo , Jose María Ulloa
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