Abstract According to the World Health Organization (WHO), almost 2 billion people each
year are infected worldwide with flu-like pathogens including influenza. This is a contagious …

Contact resistance (RC) in organic devices originates from a mismatch in energy levels
between injecting electrodes and organic semiconductors (OSCs). However, the …

The receptor-binding domain (RBD) of SARS-CoV-2 attaches to the human ACE2 to initiate
binding of SARS-CoV-2 to human cell and leads to the infection process afterwards. In this …

Simulations are essential to accelerate the discovery of new materials and to gain full
understanding of known ones. Although hard to realize experimentally, periodic boundary …

The processes of injecting and extracting holes across a metal–organic interface were
examined. The height and the width of the corresponding Schottky barriers existing at the …

The influence of substrate morphology on the Rashba band splitting at the Dirac point of
graphene, has been theoretically investigated. More specifically, the possibility for this …

We describe the transfer of holes across a gold–squaraine–gold structure via two distinct
processes describing tunneling of holes through the injecting and extracting interfaces …

Interface morphology dependent Schottky Barrier Height (SBH) and its modulation by
substitutional dopants in NiSi 2/Si interface have been investigated using density functional …

Injection from metallic electrodes serves as a main channel of charge generation in organic
semiconducting devices and the quantum effect is normally regarded as essential. We …

For an organic crystal with four metal electrodes, we have investigated the charge transfer
between the injecting electrode 1 and the extracting electrodes 2–4. Each of the measured …