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## Correction: Electrochemistry meets polymer physics: polymerized ionic liquids on an electrified electrode

Physical Chemistry Chemical Physics. 2022. Vol. 24. P. 2665-2665.

Correction for ‘Electrochemistry meets polymer physics: polymerized ionic liquids on an electrified electrode’ by Yury A. Budkov *et al.*, *Phys. Chem. Chem. Phys.*, 2022, DOI: 10.1039/d1cp04221a.

Budkov Y., Kalikin N., Kolesnikov A. L., Physical Chemistry Chemical Physics 2022 Vol. 24 P. 1355-1366

Polymeric ionic liquids are emerging polyelectrolyte materials for modern electrochemical applications. In this paper, we propose a self-consistent field theory of a polymeric ionic liquid on a charged conductive electrode. Taking into account the conformational entropy of rather long polymerized cations within the Lifshitz theory and electrostatic and excluded volume interactions of ionic species within ...

Added: December 26, 2021

Budkov Y., Sergeev A., Zavarzin S. et al., Journal of Physical Chemistry C 2020 Vol. 124 No. 30 P. 16308-16314

The development of advanced electrochemical devices for energy conversion and storage requires fine tuning of electrode reactions, which can be accomplished by altering the electrode/solution interface structure. Particularly, in case of an alkali-salt electrolyte the electric double layer (EDL) composition can be managed by introducing organic cations (e.g. room temperature ionic liquid cations) that may ...

Added: July 2, 2020

Budkov Y., Kolesnikov A. L., Current Opinion in Electrochemistry 2022 Vol. 33 Article 100931

In this review, we shortly summarize the basic theoretical milestones achieved in the mean-field theory of room temperature ionic liquids (RTILs) on charged electrodes since the publication of Kornyshev’s seminal paper in 2007. We pay special attention to the behavior of the differential capacitance profile and the microscopic parameters of ions that can have substantial ...

Added: January 5, 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

Budkov Y., Kolesnikov A. L., Goodwin Z. H. et al., Electrochimica Acta 2018 Vol. 284 P. 346-354

We propose and develop a classical density functional theory for the description of a minor amount of water dissolved in ionic liquid in the vicinity of an electrode. In addition to the electrostatic energy and lattice-gas mixing entropy terms, the utilised grand canonical potential contains several phenomenological terms/parameters that describe short-range interactions between ions of ...

Added: August 3, 2018

Budkov Y., Kolesnikov A. L., Journal of Statistical Mechanics: Theory and Experiment 2022 Vol. 2022 Article 053205

We propose a field-theoretical approach based on the thermodynamic perturbation theory and within it derive a grand thermodynamic potential of the inhomogeneous ionic fluid as a functional of electrostatic potential for an arbitrary reference fluid system. We obtain a modified Poisson–Boltzmann (PB) equation as the Euler–Lagrange equation for the obtained functional. Applying Noether's theorem to ...

Added: May 12, 2022

Kolesnikov A. L., Daria A. Mazur, Yury A. Budkov, EPL 2022 Vol. 140 No. 1 Article 16001

Porous carbon is well known as a good candidate for the development of electrochemical double-layer capacitors. Predominantly, many conventional carbons are microporous and often well described by the assumption of slit pore geometry. However, there is a class of carbons that is significantly different from the others, namely templated mesoporous carbons. In this work, we ...

Added: September 29, 2022

Budkov Y., Kalikin N., Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 2023 Vol. 107 No. 2 Article 024503

In this paper, we present a self-consistent field theory of macroscopic forces in spatially inhomogeneous flexible chain polyelectrolyte solutions. We derive an analytical expression for a stress tensor which consists of three terms: isotropic hydrostatic stress, electrostatic (Maxwell) stress, and stress rising from conformational entropy of polymer chains—conformational stress. We apply our theory to the ...

Added: February 15, 2023

Kalikin N., Kolesnikov A. L., Budkov Y., Current Opinion in Electrochemistry 2022 Vol. 36 Article 101134

The number of electrochemical applications of ionic liquids and their polymerized forms is steadily growing. Nevertheless, polymeric ionic liquid-based electrochemical systems have hardly ever been described theoretically in the same way as monomeric ionic liquids-based ones. In this opinion we briefly outline recent studies addressing basic and applied research of polymeric ionic liquids and shortly ...

Added: September 9, 2022

Victoria A. Vasileva,, Daria A. Mazur, Yury A. Budkov, Journal of Chemical Physics 2023 Vol. 159 No. 2 Article 024709

In this paper, we present a continuation of our research on modeling electrolyte solutions within charged pores. We make use of the model developed by Blossey et al. [Phys. Rev. E 95, 060602 (2017)], which takes into account the structural interactions between ions through a bilinear form over the gradients of local ionic concentrations in ...

Added: July 14, 2023

Budkov Y., Kolesnikov A. L., Journal of Physics: Condensed Matter 2020 Vol. 32 No. 36 Article 365001

In this paper we formulate a nonlocal density functional theory of inhomogeneous water. We model a water molecule as a couple of oppositely charged sites. The negatively charged sites interact with each other through the Lennard-Jones potential (steric and dispersion interactions), square-well potential (short-range specific interactions due to electron charge transfer), and Coulomb potential, whereas ...

Added: April 9, 2020

Гриб В. В., М. : [б.и.], 2019

Сборник тезисов по итогам Профессорского форума 2019 "Наука. Образование. Регионы" ...

Added: May 6, 2019

Medvedev M., Bushmarinov I., Sun J. et al., Science 2017 Vol. 355 No. 6320 P. 49-52

The theorems at the core of density functional theory (DFT) state that the energy of a many-electron system in its ground state is fully defined by its electron density distribution. This connection is made via the exact functional for the energy, which minimizes at the exact density. For years, DFT development focused on energies, implicitly ...

Added: October 12, 2019

Budkov Y., Journal of Physics: Condensed Matter 2019 Vol. 31 P. 078002-078003

We reply to the comment on our paper by Budkov (2018 J. Phys.: Condens. Matter 30 344001). ...

Added: January 4, 2019

Kalikin N., Kurskaya M. V., Ivlev D. V. et al., Journal of Molecular Liquids 2020 Vol. 311 Article 113104

In this paper we present our study of carbamazepine solubility in supercritical carbon dioxide. We have calculated the solubility values along two isochores corresponding to the CO2 densities ρ = 1.1ρcr(CO2) and ρ = 1.3ρcr(CO2), where ρcr(CO2) is the critical density of CO2, in the temperature range from 313 to 383 K, as well as ...

Added: April 9, 2020

Budkov Y., Kalikin N., Polymer Science - Series C 2023

We utilize the self-consistent field theory to explore the mechanical and electrical properties of charged surfaces immersed in polyelectrolyte solutions that could be potentially useful for electrochemical applications. Our research focuses on how the dielectric heterogeneity of the solution could affect the disjoining pressure and differential capacitance of the electric double layer. Relying on the ...

Added: August 31, 2023

Kolesnikov A. L., Budkov Y., Mollmer J. et al., Journal of Physical Chemistry C 2019 Vol. 123 No. 16 P. 10333-10338

In this manuscript, we study the electrically induced breathing of Metal-Organic Framework (MOF) within a 2D lattice model. The Helmholtz free energy of the MOF in electric eld consists of two parts: the electrostatic energy of the dielectric body in the external electric eld and elastic energy of the framework. The rst contribution is calculated ...

Added: April 1, 2019

Budkov Y., Fluid Phase Equilibria 2019 Vol. 490 P. 133-140

Based on the thermodynamic perturbation theory (TPT) and the random phase approximation (RPA), we present a statistical theory of solutions of electrically neutral soft molecules, every of which is modelled as a set of sites that interact with each other through the potentials, presented as the sum of the Coulomb potential and arbitrary soft-core potential. ...

Added: March 4, 2019

М. : Энциклопедия, Инфра-М, 2017

The New Russian Encyclopedia is a fundamental reference publication in 18 volumes that characterizes nature, population, economy, history, science, art, technology and other important aspects. Contains about 60,000 articles, about 30,000 biographies, about 15,000 color illustrations, maps, charts, diagrams, tables. Leaves since 2003. ...

Added: October 29, 2018

Саров : РФЯЦ-ВНИИТФ, 2012

Сборник содержит доклады, представленные на XIII Международном семинаре "Супервычисления и математическое моделирование".
Доклады отражают тематику семинара:
вычислительная гидродинамика;
высокопроизводительные вычислительные системы, системное ПО для многопроцессорных ЭВМ;
геомеханика, геофизика и биотехнологии;
численное моделирование задач прочности;
алгоритмы и программы расчета начальных данных и графической обработки результатов счета;
имитационное моделирование в высокотехнологичных отраслях промышленности;
методы распараллеливания на многопроцессорных ЭВМ;
численное моделирование процессов переноса частиц и излучения, задач ...

Added: September 14, 2023

М. : Энциклопедия, Инфра-М, 2017

The New Russian Encyclopedia is a fundamental reference publication in 18 volumes that characterizes nature, population, economy, history, science, art, technology and other important aspects. Contains about 60,000 articles, about 30,000 biographies, about 15,000 color illustrations, maps, charts, diagrams, tables. Leaves since 2003. ...

Added: October 31, 2018

Budkov Y., Kiselev M. G., Kolesnikov A. L., EPL 2015 Vol. 111 No. 2 P. 28002-p1-28002-p2

In this paper within a field-theoretical approach taking into account explicitly a cosolvent with a nonzero dipole and a polarizability tensor, we derive a modified Poisson-Boltzmann equation. Applying the modified Poisson-Boltzmann equation, we formulate a generalized Gouy- Chapman theory for the case when an electrolyte solution is mixed with a polar co-solvent having a large ...

Added: August 18, 2015

Kolesnikov A. L., Budkov Y., Gor G., Journal of Chemical Physics 2020 Vol. 153 P. 194703-1-194703-10

Mesoporous materials play an important role both in engineering applications and in fundamental research of confined fluids. Adsorption goes hand in hand with the deformation of the absorbent, which has positive and negative sides. It can cause sample aging or can be used in sensing technology. Here, we report the theoretical study of adsorption-induced deformation ...

Added: November 18, 2020

М. : Энциклопедия, Инфра-М, 2018

The New Russian Encyclopedia is a fundamental reference publication in 18 volumes that characterizes nature, population, economy, history, science, art, technology and other important aspects. Contains about 60,000 articles, about 30,000 biographies, about 15,000 color illustrations, maps, charts, diagrams, tables. Leaves since 2003. ...

Added: October 28, 2018