Zobrazeno 1 - 10
of 121
pro vyhledávání: '"IvaniŠtŠev, Vladislav"'
Autor:
Vetik, Iuliia, Žoglo, Nikita, Kosimov, Akmal, Cepitis, Ritums, Krasnenko, Veera, Qing, Huilin, Chandra, Priyanshu, Mirica, Katherine, Rizo, Ruben, Herrero, Enrique, Solla-Gullón, Jose, Trisukhon, Teedhat, Gittins, Jamie W., Forse, Alexander C., Grozovski, Vitali, Kongi, Nadezda, Ivaništšev, Vladislav
Addressing climate change calls for action to control CO$_2$ pollution. Direct air and ocean capture offer a solution to this challenge. Making carbon capture competitive with alternatives, such as forestation and mineralisation, requires fundamental
Externí odkaz:
http://arxiv.org/abs/2411.16444
Autor:
Goloviznina, Kateryna, Fleischhaker, Johann, Binninger, Tobias, Rotenberg, Benjamin, Ers, Heigo, Ivanistsev, Vladislav, Meissner, Robert, Serva, Alessandra, Salanne, Mathieu
Molecular dynamics simulations at a constant electric potential are an essential tool to study electrochemical processes, providing microscopic information on the structural, thermodynamic, and dynamical properties. Despite the numerous advances in t
Externí odkaz:
http://arxiv.org/abs/2404.07848
Autor:
Karu, Karl, Nerut, Eva Roos, Tao, Xueran, Kislenko, Sergei A., Pohako-Esko, Kaija, Voroshylova, Iuliia V., Ivaništšev, Vladislav B.
Publikováno v:
Electrochimica Acta, 503, 144829, 2024
Progress in electrochemical applications of ionic liquids builds on an understanding of electrical double-layer. This computational study focuses on structure-determined quantities -- maximum packing density, potentials and capacitances -- evaluated
Externí odkaz:
http://arxiv.org/abs/2302.00076
We introduce the potential of monolayer charge (PMC) as a new milepost in electrical double-layer (EDL) studies. We have estimated the PMC values for interfaces of Au(111) and a set of frisbee-shaped polycyclic heteroaromatic hydrocarbon ions using d
Externí odkaz:
http://arxiv.org/abs/2301.13681
Autor:
Karu, Karl, Nerut, Eva Roos, Tao, Xueran, Kislenko, Sergei A., Pohako-Esko, Kaija, Voroshylova, Iuliia V., Ivaništšev, Vladislav B.
Publikováno v:
In Electrochimica Acta 1 November 2024 503
Publikováno v:
Journal of Molecular Liquids, 363, 119747, 2022
In this study, we investigated the graphene-ionic liquid (EMImBF4) interface to clarify the effects of ambient temperature and potential on the differential capacitance. We complemented molecular dynamics simulations with density functional theory ca
Externí odkaz:
http://arxiv.org/abs/2201.03988
Autor:
Ers, Heigo, Lembinen, Meeri, Mišin, Maksim, Seitsonen, Ari P., Fedorov, Maxim V., Ivaništšev, Vladislav B.
Ionic liquids (IL) are promising electrolytes for electrochemical applications due to their remarkable stability and high charge density. Molecular dynamics simulations are essential for better understanding the complex phenomena occurring at the ele
Externí odkaz:
http://arxiv.org/abs/2003.12142
Autor:
Ruzanov, Anton, Lembinen, Meeri, Jakovits, Pelle, Srirama, Satish N., Voroshylova, Iuliia V., Cordeiro, M. Natália D. S., Pereira, Carlos M., Rossmeisl, Jan, Ivaništšev, Vladislav B.
Publikováno v:
Physical Chemistry Chemical Physics, 20(15), 10275-10285, 2018
In this study, we examined the thickness of the electrical double layer (EDL) in ionic liquids using density functional theory (DFT) calculations and molecular dynamics (MD) simulations. We focused on the BF4- anion adsorption from 1-ethyl-3-methylim
Externí odkaz:
http://arxiv.org/abs/1711.10382
Autor:
Ruzanov, Anton, Lembinen, Meeri, Ers, Heigo, de la Vega, José M. García, Lage-Estebanez, Isabel, Lust, Enn, Ivaništšev, Vladislav B.
Publikováno v:
The Journal of Physical Chemistry C 2018, 122 (5) , 2624-2631
Carbon materials have a range of properties such as high electrical conductivity, high specific surface area, and mechanical flexibility are relevant for electrochemical applications. Carbon materials are utilised in energy conversion-and-storage dev
Externí odkaz:
http://arxiv.org/abs/1711.09416
Temperature dependence of the capacitance of the electrical double layer (EDL) in concentrated electrolytes/ionic liquids has been under debates for decades. To rationalise the capacitance vs temperature dependence, we run molecular dynamics simulati
Externí odkaz:
http://arxiv.org/abs/1711.06854