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Satyanarayana Bonakala & Mohammad I. Hasan. (2022) Comparative study of external electric field and potential effects on liquid water ions. Molecular Physics 120:4.
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Ya-min Wang, Hui-Min Yan, Hao Cao, Jie-wei Chen, Hua Yang, Jia-yi Zhu & Juan Sun. (2023)
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Qisheng Wu, Matthew T. McDowell & Yue Qi. (2023) Effect of the Electric Double Layer (EDL) in Multicomponent Electrolyte Reduction and Solid Electrolyte Interphase (SEI) Formation in Lithium Batteries. Journal of the American Chemical Society 145:4, pages 2473-2484.
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Ravishankar Sundararaman, Derek Vigil-Fowler & Kathleen Schwarz. (2022) Improving the Accuracy of Atomistic Simulations of the Electrochemical Interface. Chemical Reviews 122:12, pages 10651-10674.
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Iuliia V. Voroshylova, Heigo Ers, Volodymyr Koverga, Borja Docampo-Álvarez, Piret Pikma, Vladislav B. Ivaništšev & M. Natália D.S. Cordeiro. (2021) Ionic liquid–metal interface: The origins of capacitance peaks. Electrochimica Acta 379, pages 138148.
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Jun Oshiki, Hiroshi Nakano & Hirofumi Sato. (2021) Controlling potential difference between electrodes based on self-consistent-charge density functional tight binding. The Journal of Chemical Physics 154:14.
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Christian Seidl, Johannes L. Hörmann & Lars Pastewka. (2021) Molecular Simulations of Electrotunable Lubrication: Viscosity and Wall Slip in Aqueous Electrolytes. Tribology Letters 69:1.
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Heigo Ers, Meeri Lembinen, Maksim Mišin, Ari P. Seitsonen, Maxim V. FedorovVladislav B. Ivaništšev. (2020) Graphene–Ionic Liquid Interfacial Potential Drop from Density Functional Theory-Based Molecular Dynamics Simulations. The Journal of Physical Chemistry C 124:36, pages 19548-19555.
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Kui Xu, Hui Shao, Zifeng Lin, Céline Merlet, Guang Feng, Jixin Zhu & Patrice Simon. (2020) Computational Insights into Charge Storage Mechanisms of Supercapacitors. ENERGY & ENVIRONMENTAL MATERIALS 3:3, pages 235-246.
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Ken Takahashi, Hiroshi Nakano & Hirofumi Sato. (2020) A polarizable molecular dynamics method for electrode–electrolyte interfacial electron transfer under the constant chemical-potential-difference condition on the electrode electrons. The Journal of Chemical Physics 153:5.
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Laura Scalfi, David T. Limmer, Alessandro Coretti, Sara Bonella, Paul A. Madden, Mathieu Salanne & Benjamin Rotenberg. (2020) Charge fluctuations from molecular simulations in the constant-potential ensemble. Physical Chemistry Chemical Physics 22:19, pages 10480-10489.
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Pritam Kumar Panda, Anton Grigoriev, Yogendra Kumar Mishra & Rajeev Ahuja. (2020) Progress in supercapacitors: roles of two dimensional nanotubular materials. Nanoscale Advances 2:1, pages 70-108.
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Hiroshi Nakano & Hirofumi Sato. (2019) A chemical potential equalization approach to constant potential polarizable electrodes for electrochemical-cell simulations. The Journal of Chemical Physics 151:16.
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Iuliia V. Voroshylova, Meeri Lembinen, Heigo Ers, Maksim Mišin, Volodymyr A. Koverga, Carlos M. Pereira, Vladislav B. Ivaništšev & M. Natália D.S. Cordeiro. (2019) On the role of the surface charge plane position at Au(hkl)–BMImPF6 interfaces. Electrochimica Acta 318, pages 76-82.
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Dmitry Bedrov, Jean-Philip Piquemal, Oleg Borodin, Alexander D. MacKerellJr.Jr., Benoît Roux & Christian Schröder. (2019) Molecular Dynamics Simulations of Ionic Liquids and Electrolytes Using Polarizable Force Fields. Chemical Reviews 119:13, pages 7940-7995.
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Samuel W. Coles & Vladislav B. Ivaništšev. (2019) Simulation of a Solvate Ionic Liquid at a Polarizable Electrode with a Constant Potential. The Journal of Physical Chemistry C 123:7, pages 3935-3943.
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Hiroshi NAKANOA & Hirofumi SATO. (2019) Classical Molecular Dynamics Simulation of Metal Electrodes-Electrolyte Interface金属電極電解液界面の古典動力学シミュレーション. Journal of Computer Chemistry, Japan 18:1, pages 9-17.
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Guilherme V. Bossa, Daniel L. Z. Caetano, Sidney J. de Carvalho, Klemen Bohinc & Sylvio May. (2018) Modeling the camel-to-bell shape transition of the differential capacitance using mean-field theory and Monte Carlo simulations. The European Physical Journal E 41:9.
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Mangesh I. Chaudhari, Ajay Muralidharan, Lawrence R. Pratt & Susan B. Rempe. (2018) Assessment of Simple Models for Molecular Simulation of Ethylene Carbonate and Propylene Carbonate as Solvents for Electrolyte Solutions. Topics in Current Chemistry 376:2.
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