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Charge Transport in Molecularly Doped Polymers: Tests of the Correlated Disorder Model
Journal of Physical Chemistry. 2011. Vol. 115. No. 14. P. 6939–6947.
Schein L. B., Tyutnev A.
The correlated disorder model (CDM) has been proposed as a theory of charge transport in molecularly doped polymers (MDPs). Recently a test of the CDM was proposed: it was predicted that the dipolar disorder energy can be obtained from the slope of the log of the mobility versus square root of the electric field (the Poole-Frenkel or PF slope). We find that the dipolar disorder energy obtained from the experimental PF slopes are almost always larger than the theoretical predictions, especially for MDPs made from dopants with low dipole moments. In addition, the theory relates the dipolar disorder energy to the temperature T0 at which the electric field dependence of the mobility vanishes. We find that the observed T0 does appear to increase as the dipolar disorder increases but is in quantitative agreement (within 25 K) with the theoretical predictions for only a limited set of the measurements. We conclude that it appears that the CDM needs further development to be consistent with charge transport in organic materials.
Гущина В. А., / Series chemrxiv-2023-vpzhz-v2 "ChemRxiv". 2023.
All-inorganic perovskite CsPbBr3 and Cs4PbBr6 nanoparticles are being intensively studied due to their unique properties and wide range of applications; however, however, the nature of their optical properties is not yet fully understood due to the difficulty of synthesis of singlephase nanoparticles. In this article we describe the features of the synthesis of single-phase particles ...
Added: May 14, 2026
Pilé I., Deng Y., Shchur L., / Series arXiv "math". 2026. No. 2604.10254.
We investigate the spatial overlap of successive spin configurations in Markov chain Monte Carlo simulations using the local Metropolis algorithm and the Svendsen-Wang and Wolff cluster algorithms. We examine the dynamics of these algorithms for two models in different universality classes: the Ising model and the Potts model with three components. The overlap of two ...
Added: April 20, 2026
Chernyshov D., Satanin A., Shchur L., / Series arXiv "math". 2025.
We investigate the boundary separating regular and chaotic dynamics in the generalized Chirikov map, an extension of the standard map with phase-shifted secondary kicks. Lyapunov maps were computed across the parameter space (K,K(α, τ)) and used to train a convolutional neural network (ResNet18) for binary classification of dynamical regimes. The model reproduces the known critical ...
Added: November 21, 2025
Kagan M., Silkin V. M., Efremov D. V., / Series arXiv "math". 2024. No. 2411.12836.
In this study, we analyze the dielectric function of high-Tc cuprates as a function of doping level, taking into account the full energy band dispersion within the CuO2 monolayer. In addition to the conventional two-dimensional (2D) gapless plasmon mode, our findings reveal the existence of three anomalous branches within the plasmon spectrum. Two of these branches ...
Added: November 27, 2024
Influence of anisotropy on the study of critical behavior of spin models by machine learning methods
Sukhoverkhova D., Shchur L., / Series arXiv "math". 2024. No. 2410.14523.
In this paper, we applied a deep neural network to study the issue of knowledge transferability between statistical mechanics models. The following computer experiment was conducted. A convolutional neural network was trained to solve the problem of binary classification of snapshots of the Ising model's spin configuration on a two-dimensional lattice. During testing, snapshots of ...
Added: October 21, 2024
Mozolenko V., Fadeeva Marina, Shchur L., / Series arXiv "math". 2024. No. 2405.10865.
The development of new algorithms for simulations in physics is as important as the development of new analytical methods. In this paper we present a comparison of the recently developed microcanonical population annealing (MCPA) algorithm with the rather mature Wang-Landau algorithm. The comparison is performed on two cases of the Potts model exhibiting a first ...
Added: May 20, 2024
Kagan M., Аксёнов С. В., / Series Research Square "Research Suqare". 2024. No. 1.
We study different resonances (first of all of the Fano type) in the interference device formed by the Aharonov-Bohm ring with superconducting (SC) wire in the topologically nontrivial state playing a role of a bridge between top and bottom arms. We analyze Majorana modes on the ends of the SC wire and show that the collapse of the ...
Added: April 10, 2024
Ребров Я. В., Glazkov V., Murtazoev A. F. et al., / Series cond-mat "arxiv.org". 2023.
Nabokoite family compounds ACu7(TeO4)(SO4)5Cl (A=Na, K, Cs, Rb) are one of the candidates for the evasive spin-liquid state predicted for highly-frustrated square kagome lattice (SKL). Their magnetic subsystem includes SKL layers decorated by additional copper ions. All members of this family are characterized by quite high Curie-Weiss temperatures (∼80−200 K), but magnetic ordering was reported ...
Added: January 29, 2024
Shurakov A., Kaurova N., Belikov I. et al., / Series Physics "arxiv.org". 2022.
In this paper, we report on the method of nondestructive quality control that can be used in fabrication of GaAs high-speed electronics. The method relies on the surface potential mapping and enables rigid in vivo analysis of transport properties of an active electronic device incorporated into a complex integrated circuit. The study is inspired by ...
Added: September 15, 2023
Pugach N., Safonchik M. O., Belotelov V. et al., / Series "cond-mat". 2022. No. 2110.00369.
A detailed investigation of a superconducting spin-triplet valve is presented. This spin-valve consists of a superconducting film covering a metal with an intrinsic spiral magnetic order, which could result from competing isotropic exchanges or, if the crystal lattice breaks central symmetry, from asymmetric Dzyaloshinskii-Moriya exchange. Depending on the anisotropy, such a metal may change its ...
Added: November 16, 2022
Novikov S. V., / Series cond-mat "arxiv.org". 2022. No. 2209.14955.
Charge transport in amorphous semiconductors having spatially correlated exponential density of states (DOS) has been considered for the arbitrary behavior of the correlation function of random energies. Average carrier velocity is exactly calculated for the quasi-equilibrium (nondispersive) transport regime. For the symmetric exponential DOS with exponential tails for low and high energies and non-positive correlation ...
Added: November 1, 2022
Ikhsanov R., Mazur E., Kagan M., / Series "Working papers by Cornell University". 2022. No. 2202.01452.
At present, the task of searching for compounds with a high superconducting transition temperature is a very relevant scientific direction. Usually, the calculation of is carried out by numerically solving the system of Eliashberg equations. In this paper, a set of programs for solving this system written in various forms on the imaginary axis is ...
Added: February 4, 2022
Budkov Y., Zavarzin S., Kolesnikov A. L., Journal of Physical Chemistry C 2021 Vol. 125 No. 38 P. 21151–21159
We formulate a general mean-field theory for a flat electric double layer in ionic liquids and electrolyte solutions with ions possessing static polarizability and a permanent dipole moment on a charged electrode. We establish a new analytical expression for electric double-layer differential capacitance, determining it as an absolute value of the ratio of the local ...
Added: September 16, 2021
Sanina N., Isaeva U., Utenyshev A. et al., Inorganica Chimica Acta 2021 Vol. 527 Article 120559
A new inhibitor of phosphodiesterase (PDE), i.e., nitric oxide (NO) donor, a water soluble DNIC Na[Fe(C7H5N4S)2(NO)2]⋅2.5H2O (1), has been synthesized. The structure of the new complex, its physical-chemical properties in the solid state and in solutions have been studied experimentally (X-ray analysis, IR, UV-Vis, Mossbauer spectroscopy, mass-spectrometry, and amperometry) and theoretically (quantum-chemical modeling by DFT ...
Added: September 16, 2021
Novikov S.V., Journal of Chemical Physics 2018 Vol. 148 No. 2 P. 024505-1–024505-10
Diffusive transport of a particle in a spatially correlated random energy landscape having exponential
density of states has been considered. We exactly calculate the diffusivity in the nondispersive quasiequilibrium transport regime for the 1D transport model and found that for slow decaying correlation
functions the diffusivity becomes singular at some particular temperature higher than the temperature
of the ...
Added: July 12, 2018
A.P.Tyutnev, R.Sh. Ikhsanov, V.S. Saenko et al., Chemical Physics 2018 Vol. 503 P. 65–70
We have performed numerical analysis of the charge carrier transport in a specific molecularly doped
polymer using the multiple trapping model. The computations covered a wide range of applied electric
fields, temperatures and most importantly, of the initial energies of photo injected one-sign carriers
(in our case, holes). Special attention has been given to comparison of time of ...
Added: February 12, 2018
A.P. Tyutnev, S.V. Novikov, V.S. Saenko et al., Journal of Chemical Physics 2017 Vol. 147 No. 11 P. 114901-1–114901-8
We have performed Monte-Carlo simulations of the charge carrier transport in a model molecularly doped polymer using three most popular hopping theories (the dipolar glass model, the Gaussian disorder model, and an intermediate between them) in a wide range of applied electric fields and temperatures. Time of flight transients have been computed and analyzed in ...
Added: September 15, 2017
A.P. Tyutnev, V.S. Saenko, Aleshkevich A. et al., Polymer Science - Series A 2017 Vol. 59 No. 4 P. 575–578
Abstract—Transient current curves in a polar molecularly doped polymer for subsurface and bulk generations of charge carriers are compared. No transformation of the horizontal plateau on the former to the curve predicted by the diffusion and drift theory was found, contrary to expectations for quasi-equilibrium transport conditions. This behavior indicates a nonequilibrium character of the ...
Added: June 15, 2017
Tyutnev A. P., Ikhsanov R., Novikov S. V., Chemical Physics 2014 Vol. 440 P. 1–7
We have compared time-of-flight curves predicted by hopping and multiple trapping models with the Gaussian and exponential site/trap energy distributions, fitting Monte-Carlo predictions of the former with numerical calculations of the latter in a wide time domain using logarithmic coordinates lg j–lg t for the characterization of current shapes and an estimation of transit times. As a ...
Added: February 28, 2015
Tyutnev A., Ихсанов Р. Ш., Abrameshin A. E. et al., Высокомолекулярные соединения. Серия А 2013 Т. 55 № 3 С. 306–311
Abstract—The general problems of the bimolecular recombination of charge carriers in molecularly doped polycarbonate are discussed. Experimental studies are performed via the transient radiationinduced conductivity method. Transientcurrent curves are numerically calculated via the multiple trapping model. The calculated and experimental curves are in good agreement. It is shown that the studied molecularly doped polymer undergoes ...
Added: April 10, 2013
Tyutnev A. P., Novikov S. V., Journal of Chemical Physics 2013 Vol. 138 No. 104120 P. 1–9
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 a typical polar organic photoconductor polycarbonate doped with 30% of aromatic hydrazone, whose transport properties are well documented ...
Added: April 3, 2013
Ikhsanov R., Grach E., Королев Н. et al., В кн.: Труды XIX Международного совещания "Радиационная физика твердого тела" (Севастополь, 31 августа - 5 сентября 2009 г.).: М.: Издательство ГНУ НИИ ПМТ, 2009. С. 553–558.
В статье рассмотрено теоретическое описание электронного транспорта в молекулярно допированных полимерах. В настоящей работе выполнено численное решение уравнений модели многократного захвата применительно к постановке идеализированного времяпролетного эксперимента. Проведенные расчетные данные позволяют существенно прояснить картину поведения переходных токов, измеряемых в процессе времяпролетного эксперимента в материалах с повышенным значением дисперсионного параметра, преодолевая тем самым ограничения, накладываемые классическим ...
Added: December 6, 2012
Tyutnev A., Ikhsanov R., Saenko V. et al., Электрохимия 2012 Т. 48 № 2 С. 208–216
Theoretical and experimental studies of the carrier transport in molecularly doped polymers (MDPs) have been reported. Theoretical analysis uses the multiple trapping (MT) model with an exponential and Gaussian trap distributions. Experimental technique is based on an electron gun technology enabling one to conduct time of flight measurements using the surface and the bulk carrier ...
Added: November 21, 2012
Tyutnev A., Saenko V., Grach E. et al., Химия высоких энергий 2010 Т. 44 № 5 С. 394–401
The effect of preliminary electron beam irradiation on hole transport in a molecularly doped polymer was studied with the use of the time of flight technique in the radiation_induced mode. Specimens that exhibit a plateau on their time of flight curves were selected for the study, since they suggest the occurrence of quasi equilibrium transport ...
Added: April 12, 2012