Three-Dimensional CFD Simulation of a Proton Exchange Membrane Electrolysis Cell
The energy shift towards carbon-free solutions is creating an ever-growing engineering interest in electrolytic cells, i.e., devices to produce hydrogen from water-splitting reactions.
Giuseppe Corda+3 more
doaj +1 more source
Amidinium salts: Towards enabling electrochemistry in non-polar media from alkanes to ionic liquids
Abstract There is little known about electrochemical behavior in non-polar media due to lack of compatible, hydrophobic salts. In this work, this difficult challenge has been overcome by following a strategy based on designing and synthesizing a novel family of organic salts with highly-delocalized cations and anions.
Yaser Abu-Lebdeh+3 more
openaire +3 more sources
Implicit Solvation Methods for Catalysis at Electrified Interfaces [PDF]
Implicit solvation is an effective, highly coarse-grained approach in atomic-scale simulations to account for a surrounding liquid electrolyte on the level of a continuous polarizable medium. Originating in molecular chemistry with finite solutes, implicit solvation techniques are now increasingly used in the context of first-principles modeling of ...
arxiv
Triboelectric Junction: A Model for Dynamic Metal-Semiconductor Contacts [PDF]
Static metal-semiconductor contacts are classified into Ohmic contacts and Schottky contacts. As for dynamic metal-semiconductor contacts, the in-depth mechanism remains to be studied. We here define a "triboelectric junction" model for analyzing dynamic metal-semiconductor contacts, where a space charge region induced by the triboelectric effect ...
arxiv
Electrochemistry and Optical Microscopy [PDF]
Electrochemistry exploits local current heterogeneities at various scales ranging from the micrometer to the nanometer. The last decade has witnessed unprecedented progress in the development of a wide range of electroanalytical techniques allowing to reveal and quantify such heterogeneity through multiscale and multifonctionnal operando probing of ...
arxiv +1 more source
Molecular recognition of polar neutral molecules by metallomacrocycles: synthesis, proton NMR spectroscopy, x-ray structure, electrochemistry, and ab initio calculations [PDF]
AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
David N. Reinhoudt+6 more
openaire +3 more sources
Dynamic polarization of graphene by moving external charges: random phase approximation [PDF]
We evaluate the stopping and image forces on a charged particle moving parallel to a doped sheet of graphene by using the dielectric response formalism for graphene's $\pi$-electron bands in the random phase approximation (RPA). The forces are presented as functions of the particle speed and the particle distance for a broad range of charge-carrier ...
arxiv +1 more source
Influence of interface dipole layers on the performance of graphene field effect transistors [PDF]
The linear band dispersion of graphene's bands near the Fermi level gives rise to its unique electronic properties, such as a giant carrier mobility, and this has triggered extensive research in applications, such as graphene field-effect transistors (GFETs).
arxiv +1 more source
Effect of surface ionic screening on polarization reversal and phase diagrams in thin antiferroelectric films for information and energy storage [PDF]
The emergent behaviors in antiferroelectric thin films due to a coupling between surface electrochemistry and intrinsic polar instabilities are explored within the framework of the modified 2-4-6 Kittel-Landau-Ginzburg-Devonshire (KLGD) thermodynamic approach. Using phenomenological parameters of the KLGD potential for a bulk antiferroelectric (PbZrO3)
arxiv
Additive manufacturing of magnesium alloys by laser is difficult because the melting point of the oxide layer is much higher than the evaporation temperature of the metal underneath. Making the oxide layer thinner can solve this problem. Alloying magnesium with strontium makes the oxide layer thinner, especially at 0.5 wt%.
Elmar Jonas Breitbach+8 more
wiley +1 more source