We present a comprehensive review of methods and applications of molecular simulations
of interfacial systems. We give a detailed overview of the main techniques and major …

Recent findings qualified aldehydes as potential biomarkers for disease diagnosis. One of
the possibilities is to use electrochemical biosensors in point-of-care (PoC), but these need …

In this work, a monolayer of n-alkanethiol formed on an approximately 8 nm thick Au film,
deposited onto a Si substrate with a thermally grown SiO2 layer, was characterized using …

The formation of Zn dendrites and ZnO byproducts in Zn–air batteries is the reason for their
poor performance, which needs urgent scrutiny. Here, an attempt is made to grow high …

We investigate the impact of the substrate on the structural properties and the morphology of
alkanethiol self-assembled monolayers (SAMs) on gold using first-principles calculations …

Ordering in organic photovoltaic materials (OPV) has profound effects in their electrical and
photovoltaic properties. Understanding the ordering present in current OPVs is essential for …