Functionalized self-assembled monolayers (SAMs) are the focus of ongoing investigations because they can be chemically tuned to control their structure and dynamics for a wide variety of applications, including electrochemistry, catalysis, and as models of biological interfaces. Here we combine reflection 2D infrared vibrational echo spectroscopy (R-2D IR) and molecular dynamics simulations to ...

We demonstrate a model for stoichiometric and reduced titanium dioxide intended for use in molecular dynamics and other atomistic simulations and based in the polarizable ion tight binding theory. This extends the model introduced in two previous papers from molecular and liquid applications into the solid state, thus completing the task of providing a comprehensive and unified scheme for study...

Over the past decade, bipolar electrochemistry has emerged from relative obscurity to provide a promising new means for integrating electrochemistry into lab-on-a-chip systems. This article describes the fundamental operating principles of bipolar electrodes, as well as several interesting applications.

Abstract Molecular modeling has been considered indispensable in studying the energy storage of supercapacitors at atomistic level. The constant potential method (CPM) allows electric to be kept uniform electrode, which is essential for a realistic description charge repartition and dynamics process supercapacitors. However, previous CPM studies have limited potentiostatic mode. Although widely...

A microreactor for electrochemical synthesis has been designed and fabricated. It has been shown that different reactions can be carried out successfully using simple protocols.

Rapid and direct genetic analysis of low numbers of bacteria using chip-based sensors is limited by the slow diffusion of mRNA molecules. Long incubation times are required in dilute solutions in order to collect a sufficient number of molecules at the sensor surface to generate a detectable signal. To overcome this barrier here we present an integrated device that leverages electrochemistry-dr...

Electron paramagnetic resonance and electrochemistry are used to evidence the interaction between 1,10-phenanthroline (Phen) and KO(t)Bu to form the 1,10-phenanthroline radical anion, Phen˙(-), and the (t)BuO˙ radical via an inner-sphere electron transfer. In addition, electrochemistry is also used to explain the formation of aryl radicals from aryl bromides via outer-sphere electron transfer f...

Milica M. Gvozdenović1,*, Branimir Z. Jugović2, Jasmina S. Stevanović3, Tomislav Lj. Trišović2 and Branimir N. Grgur1 1Department of Physical Chemistry and Electrochemistry, Faculty of Technology and Metallurgy, University of Belgrade, Belgrade, 2Institute of Technical Sciences, Serbian Academy of Science and Arts, 3Center for Electrochemistry, Institute of Technology and Metallurgy, Belgrade S...