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In electrochemical systems, the structure of electrical double layers (EDLs) near electrode surfaces is crucial for energy conversion and storage functions. While the electrodes in real-world systems are usually heterogeneous, to date the…

The structure of the electrical double layer (EDL) formed near graphene in aqueous environments strongly impacts its performance for a plethora of applications, including capacitive deionization. In particular, adsorption and organization…

Soft Condensed Matter · Physics 2022-02-09 Amanda J. Carr , Sang Soo Lee , Ahmet Uysal

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…

Water molecules are traditionally regarded as passive dielectric media in electrochemical systems. In this work, we challenge this conventional perspective using molecular dynamics simulations and theoretical analysis. We show that…

Chemical Physics · Physics 2025-05-21 Peiyao Wang , Gengping Jiang , Yuan Yan , Longbing Qu , Xiaoyang Du , Dan Li , Jefferson Zhe Liu

Electronic polarization and charge transfer effects play a crucial role in thermodynamic, structural and transport properties of room-temperature ionic liquids (RTILs). These non-additive interactions constitute a useful tool for tuning…

Materials Science · Physics 2014-09-09 Vitaly V. Chaban , Oleg V. Prezhdo

The electrical double layer (EDL) at aqueous solution-metal oxide interfaces critically affects many fundamental processes in electrochemistry, geology and biology, yet understanding its microscopic structure is challenging for both theory…

Room Temperature Ionic Liquids (RTILs) have attracted much of the attention of the scientific community in the past decade due the their novel and highly customizable properties. Nonetheless their high viscosities pose serious limitations…

Chemical Physics · Physics 2012-08-09 Oliviero Andreussi , Nicola Marzari

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…

Soft Condensed Matter · Physics 2020-05-26 Vladislav B Ivaništšev , Kathleen Kirchner , Maxim V. Fedorov

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…

Materials Science · Physics 2024-05-16 Heigo Ers , Iuliia V. Voroshylova , Piret Pikma , Vladislav B. Ivaništšev

Recent advances in experimental and computational techniques have allowed for an accurate description of the adsorption of ionic liquids on metallic electrodes. It is now well established that they adopt a multi-layered structure, and that…

Materials Science · Physics 2016-03-15 Benjamin Rotenberg , Mathieu Salanne

Room Temperature Ionic Liquids (RTILs) are molten salts which exhibit uniques physical and chemical properties, commonly harnessed for lubrication and energy applications. The pure ionic nature of RTIL leads to strong electrostatic…

Soft Condensed Matter · Physics 2021-02-19 Antoine Lainé , Antoine Niguès , Lydéric Bocquet , Alessandro Siria

The electric double layer (EDL) has a pivotal role in screening charges on surfaces as in supercapacitor electrodes or colloidal and polymer solutions. Its structure is determined by correlations between the finite-sized ionic charge…

Soft Condensed Matter · Physics 2023-11-21 Peter Cats , Andreas Härtel

Ionic liquids (ILs) are an extremely exciting class of electrolytes for energy storage applications because of their unique combination of properties. Upon dissolving alkali metal salts, such as Li or Na based salts, with the same anion as…

Ionic liquids (ILs) are appealing electrolytes for their favorable physicochemical properties. However, despite their longstanding use, understanding the capacitive behavior of ILs remains challenging. This is largely due to the formation…

Soft Condensed Matter · Physics 2024-01-02 YeongKyu Lee , JunBeom Cho , Yongkyu Lee , Won Bo Lee , YongSeok Jho

Electrochemical gating has been demonstrated as a powerful tool to tune the physical properties of two-dimensional (2D) materials, leading to lots of fascinating quantum phenomena. However, the reported liquid-nature electrolytes (e.g,…

Applied Physics · Physics 2022-04-27 Xin Hu , Shou-Xin Zhao , Yang Li , Zhao-Yuan Sun , Liang Zhen , Cheng-Yan Xu

Intercalation reactions modify the charge density in van der Waals (vdW) materials through coupled electronic-ionic charge accumulation, and are susceptible to modulation by interlayer hybridization in vdW heterostructures. Here, we…

The structure and thickness of the electrical double layer (EDL) at carbon electrodes strongly influence electrochemical performance, yet remain poorly understood in super-concentrated aqueous electrolytes. Here we combine classical and…

The electric double layer (EDL) formed around charged nanostructures at the liquid-solid interface determines their electrochemical activity and influences their electrical and optical polarizability. We experimentally demonstrate that…

Soft Condensed Matter · Physics 2020-04-29 Kevin Namink , Xuanhui Meng , Marc T. M. Koper , Philipp Kukura , Sanli Faez

One prominent structural feature of ionic liquids near surfaces is formation of alternating layers of anions and cations. However, how this layering responds to applied potential is poorly understood. We focus on the structure of…

Many intercalation compounds possess layered structures or inter-penetrating lattices that enable phase separation into three or more stable phases, or "stages," driven by competing intra-layer and inter-layer forces. While these structures…

Chemical Physics · Physics 2017-06-27 Raymond B. Smith , Edwin Khoo , Martin Z. Bazant
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