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Separation of salt ions from seawater using graphene oxide (GO) membrane is an emerging desalination method. Here, we investigate the dynamic behavior of water, sodium, and chloride ions inside GO membrane using a computational approach.…

Chemical Physics · Physics 2021-08-25 One-Sun Lee

We present a simulation scheme to calculate defect formation free energies at a molecular crystal/water interface based on force-field molecular dynamics (MD) simulations. To this end we adopt and modify existing approaches to calculate…

Materials Science · Physics 2015-06-22 Julian Schneider , Chen Zheng , Karsten Reuter

Graphene-based electric power generation that converts mechanical energy of flow of ionic droplets over the device surface into electricity has emerged as promising candidate for a blue-energy network. Yet the lack of a microscopic…

In this paper I report a pedagogical derivation of the unconventional electronic hydrodynamics in graphene on the basis of the kinetic theory. While formally valid in the weak coupling limit, this approach allows one to derive the…

Mesoscale and Nanoscale Physics · Physics 2019-10-30 Boris N. Narozhny

Using fluorescence microscopy we study the adsorption of single latex microparticles at a water/water interface between demixing aqueous solutions of polymers, generally known as a water-in-water emulsion. Similar microparticles at the…

Soft Condensed Matter · Physics 2018-05-23 Louis Keal , Carlos E. Colosqui , Hans Tromp , Cecile Monteux

The interface between a liquid and a solid is the location of plethora of intrincate mechanisms at the nanoscale, at the root of their specific emerging properties in natural processes or technological applications. However, while the…

Photoemission studies of graphene have resulted in a long-standing controversy concerning the strength of the experimental electron-phonon interaction in comparison with theoretical calculations. Using high-resolution angle-resolved…

Materials Science · Physics 2015-05-30 David A. Siegel , Choongyu Hwang , Alexi V. Fedorov , Alessandra Lanzara

We investigate the statistical mechanics of an inhomogeneous Coulomb fluid composed of charged particles with static polarizability. We derive the weak- and the strong-coupling approximations and evaluate the partition function in a planar…

Soft Condensed Matter · Physics 2013-04-22 Vincent Démery , David S. Dean , Rudolf Podgornik

We present an analytical one-dimensional model potential for the description of electronic interface states that form at the interface between a metal surface and flat-lying adlayers of $\pi$-conjugated organic molecules. The model utilizes…

Mesoscale and Nanoscale Physics · Physics 2018-11-02 N. Armbrust , F. Schiller , J. Güdde , U. Höfer

Ionic liquids are widely used as electrolytes in electrochemical devices. In this context, many experimental and theoretical approaches have been recently developed for characterizing their interface with electrodes. In this perspective…

Materials Science · Physics 2017-09-13 Céline Merlet , Benjamin Rotenberg , Paul Madden , Mathieu Salanne

We have studied two interchange layer systems, (i) free standing partly hydrogenated graphene (graphone), and (ii) graphone on the Nickel (111) surface, to assess various density functional theory based computational schemes incorporating…

Materials Science · Physics 2022-04-26 Magdalena Birowska , Maciej Marchwiany , Claudia Draxl , Jacek. A. Majewski

The electrostatic interaction between colloidal particles trapped at the interface between two immiscible electrolyte solutions is studied in the limit of small inter-particle distances. Within an appropriate model exact analytic…

Soft Condensed Matter · Physics 2014-05-07 Arghya Majee , Markus Bier , S. Dietrich

The use of electric fields for signalling and control in liquids is widespread, spanning bioelectric activity in cells to electrical manipulation of microstructures in lab-on-a-chip devices. However, an appropriate tool to resolve the…

Motivated by numerically modeling surface waves for inviscid Euler equations, we analyze linear models for damped water waves and establish decay properties for the energy for sufficiently regular initial configurations. Our findings give…

Analysis of PDEs · Mathematics 2023-08-21 Thomas Alazard , Jeremy L. Marzuola , Jian Wang

Graphene Oxide and reduced Graphene Oxide are intriguing materials for photonics and electronic devices both for intrinsic characteristics and as precursors for the synthesis of graphene. Whatever the application and the engineering…

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

We analyse the interaction between charges and graphene layers. The electric polarisability of graphene induces a force, that can be described by an image charge. The analysis shows that graphene can be described as an imperfect conductor…

Mesoscale and Nanoscale Physics · Physics 2016-05-27 Francisco Guinea , Niels R. Walet

The design and production of novel 2-dimensional materials has seen great progress in the last decade, prompting further exploration of the chemistry of such materials. Doping and hydrogenating graphene is an experimentally realised method…

Chemical Physics · Physics 2017-11-22 Yasmine S. Al-Hamdani , Angelos Michaelides , O. Anatole von Lilienfeld

The numerous combinations of cations and anions turn out possible to produce ionic liquids with fine-tuned properties once the correlation with the molecular structure is known. In this sense, computer simulations are useful tools to…

The effects of humidity on the electronic properties of quasi-free standing one layer graphene (QFS 1LG) are investigated via simultaneous magneto-transport in the van der Pauw geometry and local work function measurements in a controlled…