Molecular simulations based on reactive force-fields (ReaxFF) have been applied as a
powerful tool for exploring the pyrolysis process of complex carbonaceous materials. It can …

To examine the changing self-assembled nanostructures of ionic liquid (IL)-based
electrolytes during energy storage, electrolyte systems [P 14, 6, 6, 6][C 8 SO 4],[N 8888][C 8 …

The engineering of weak interactions between metals and organic semiconductors is crucial
in regulating energy carrier transport within organic semiconductor electronics. In this study …

The performance of organic optoelectronic devices, such as organic light-emitting diodes
(OLEDs) and organic solar cells (OSCs), is intrinsically related to the molecular-scale …

Multifunctional organic light‐emitting transistors (OLETs), which combine electric‐switching
and light‐producing capabilities into a single device, are attracting increasing interest as …

Coating a substrate with a self-assembled monolayer (SAM) is known as an effective surface
modification method for improving the quality of organic semiconductor films formed on it …

C8-BTBT-C8 is one promising candidate for the development of high-performance electronic
devices based on thin-film technologies. Its monoclinic polymorph has a well-established …

Compared with traditional control methods in the drug crystallization process, a
heterogeneous functional monolayer is an effective approach that could induce needed …

This study investigates the dynamics of ice crystal growth and stress distribution in
nanoconfined spaces using molecular dynamics simulations. First, the interaction between …

When forming a film on a substrate, rod shaped organic molecules can order in lying-down
or standing-up phases. We have studied the growth of diindenoperylene films on …