Molecular electronics aims to miniaturize electronic devices by using subnanometre-scale
active components,,. A single-molecule diode, a circuit element that directs current flow, was …

Molecular junctions, where single molecules are bound to metal or semiconductor
electrodes, represent a unique architecture to investigate molecules in a distinct …

We demonstrate a new method of achieving rectification in single molecule devices using
the high-bias properties of gold–carbon bonds. Our design for molecular rectifiers uses a …

We share our perspective that a simple analytical model for electron tunneling in molecular
junctions can greatly aid quantitative analysis of experimental data in molecular electronics …

Conspectus The emerging field of flexible electronics based on organics and two-
dimensional (2D) materials relies on a fundamental understanding of charge and spin …

A key quantity for molecule–metal interfaces is the energy level alignment of molecular
electronic states with the metallic Fermi level. We develop and apply an efficient theoretical …

Multi-heme cytochromes (MHCs) are fascinating proteins used by bacterial organisms to
shuttle electrons within, between, and out of their cells. When placed in solid-state electronic …

We measure conductance and thermopower of single Au–4, 4′-bipyridine–Au junctions in
distinct low and high conductance binding geometries accessed by modulating the …

Using scanning tunneling microscope break-junction experiments and a new first-principles
approach to conductance calculations, we report and explain low-bias charge transport …

Motivated by recent experiments, we present here a detailed theoretical analysis of the joule
heating in current-carrying single-molecule junctions. By combining the Landauer approach …