One of the ultimate goals of molecular electronics is to create technologies that will
complement—and eventually supersede—Si-based microelectronics technologies. To reach …

Recent observations of destructive quantum interference in single-molecule junctions
confirm the role of quantum effects in the electronic conductance properties of molecular …

The ability to modulate and control charge transport though singlemolecule junction devices
is crucial to achieving the ultimate goal of molecular electronics: constructing real-world …

The predictability, diversity and programmability of DNA make it a leading candidate for the
design of functional electronic devices that use single molecules, yet its electron transport …

The performance of transistors based on two-dimensional (2D) materials is affected largely
by the contact resistance due to high Schottky barriers at the metal-2D-material interface. In …

DNA naturally exists in a solvent environment, comprising water and salt molecules such as
sodium, potassium, magnesium, etc. Along with the sequence, the solvent conditions …

We have carried out a comprehensive study of the influence of electronic structure modeling
and junction structure description on the first-principles calculation of the spin polarization in …

One of the manifestations of chirality-induced spin selectivity (CISS) is the appearance of a
magnetocurrent. Magnetocurrent is the observation that the charge currents at finite bias in a …

We review one of the most versatile theoretical approaches to the study of time-dependent
correlated quantum transport in nano-systems: the non-equilibrium Green's function (NEGF) …

Helicenes are inherently chiral polyaromatic molecules composed of all-ortho fused
benzene rings possessing a spring-like structure. Here, using a combination of density …